NP-MRD: Showing NP-Card for Molybdenum cofactor (NP0062866)

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Record Information

Version

2.0

Created at

2022-04-28 07:24:40 UTC

Updated at

2022-04-28 07:24:41 UTC

NP-MRD ID

NP0062866

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Molybdenum cofactor

Description

Molybdenum cofactor is found in Escherichia coli.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282209242D          

 27 29  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9441    0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310    1.3725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5464    1.1176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5026    2.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8895    2.7315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0610    3.5385    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.2325    4.3455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2540    3.7100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8680    3.3670    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7511    0.9920    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    4.1636    0.2775    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
    4.8310    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7156   -0.3356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6116   -0.3356    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 11  1  0  0  0  0
  9 12  1  6  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 12 26  1  0  0  0  0
  2 27  1  0  0  0  0
M  CHG  4  20  -1  21  -1  22  -1  26  -1
M  RAD  2  22   2  26   2
M  END

     RDKit          3D

 39 41  0  0  0  0  0  0  0  0999 V2000
    6.3886   -1.4366    0.4206 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0872   -0.8599    0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0130   -1.6262    0.0102 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7939   -1.0074   -0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6809    0.3563    0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    1.1100    0.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684    2.3576    0.4203 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9831    0.4777    0.4150 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3956    0.9440   -0.1230 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2770    0.1479   -0.6749 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9004    1.0167   -0.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0378    0.9783   -0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4877   -0.0675    0.8177 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8230    0.7035    1.9710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7788   -0.6255    0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6193   -1.4144   -0.8256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0957   -2.0207   -1.3564 P   0  0  1  0  0  5  0  0  0  0  0  0
   -6.0875   -2.0089   -0.2163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7631   -1.0395   -2.5866 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.8358   -3.5791   -1.9403 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.2712    2.2292   -0.5094 S   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6843    3.8188   -0.9918 Mo  0  0  1  0  0  6  0  0  0  0  0  0
   -2.1196    5.0863   -1.0136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9093    3.4499    1.1131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7123    2.4985   -1.8483 S   0  0  0  0  0  2  0  0  0  0  0  0
    0.3308   -1.1273    0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6210   -1.7458   -0.3962 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5165   -2.4214    0.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2605   -0.9042    0.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8338    1.0508    0.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2304    1.9299    0.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6844   -0.0536   -1.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7738   -0.7523    1.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6173    1.2560    1.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3015   -1.2652    1.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5026    0.1719    0.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4019   -1.8981   -0.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4817   -1.0632    1.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6891   -2.6666   -0.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  9  1  0
  9 10  1  0
 10 26  1  0
 26 27  1  0
 10 11  1  0
 11 12  2  0
 12 21  1  0
 22 21  1  1
 22 23  2  0
 22 24  2  0
 22 25  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 19  1  6
 17 20  1  0
 17 18  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  2  1  0
 27  4  1  0
 25 11  1  0
  1 28  1  0
  1 29  1  0
  9 31  1  0
 10 32  1  6
 26 37  1  0
 26 38  1  0
 27 39  1  0
 13 33  1  1
 14 34  1  0
 15 35  1  0
 15 36  1  0
  8 30  1  0
M  CHG  4  19  -1  20  -1  21  -1  25  -1
M  RAD  2  21   2  25   2
M  END


  Mrv1652304282209242D          

 27 29  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9441    0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310    1.3725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5464    1.1176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5026    2.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8895    2.7315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0610    3.5385    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.2325    4.3455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2540    3.7100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8680    3.3670    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7511    0.9920    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    4.1636    0.2775    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
    4.8310    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7156   -0.3356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6116   -0.3356    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 11  1  0  0  0  0
  9 12  1  6  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 12 26  1  0  0  0  0
  2 27  1  0  0  0  0
M  CHG  4  20  -1  21  -1  22  -1  26  -1
M  RAD  2  22   2  26   2
M  END
> <DATABASE_ID>
NP0062866

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC1=NC2=C(N[C@@H](CN2)C2=C([S-][Mo](=O)(=O)[S-]2)[C@@H](O)COP([O-])([O-])=O)C(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C10H14N5O6PS2.Mo.2O/c11-10-14-8-5(9(17)15-10)13-3(1-12-8)6(23)7(24)4(16)2-21-22(18,19)20;;;/h3-4,13,16H,1-2H2,(H2,18,19,20)(H4,11,12,14,15,17);;;/q-2;;;/p-2/t3-,4-;;;/m0.../s1

> <INCHI_KEY>
DFYXSUSYYWCATL-BLZBDRIDSA-L

> <FORMULA>
C10H12MoN5O8PS2

> <MOLECULAR_WEIGHT>
521.28

> <EXACT_MASS>
522.894091

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
38.684393332362205

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-4

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
-1.82

> <ALOGPS_LOGS>
-1.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_POLAR_SURFACE_AREA>
218.33

> <JCHEM_REFRACTIVITY>
100.29089999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.21e+00 g/l

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  N   UNK     0      -1.334  -0.770   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       0.000  -3.080   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0       2.667  -0.000   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       2.667  -3.080   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.496   1.532   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.351   2.562   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.887   2.086   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       4.671   4.068   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       3.527   5.099   0.000  0.00  0.00           O+0
HETATM   18  P   UNK     0       3.847   6.605   0.000  0.00  0.00           P+0
HETATM   19  O   UNK     0       4.167   8.112   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       2.341   6.925   0.000  0.00  0.00           O-1
HETATM   21  O   UNK     0       5.354   6.285   0.000  0.00  0.00           O-1
HETATM   22  S   UNK     0       7.002   1.852   0.000  0.00  0.00           S-1
HETATM   23 Mo   UNK     0       7.772   0.518   0.000  0.00  0.00          Mo+0
HETATM   24  O   UNK     0       9.018   1.423   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       8.802  -0.626   0.000  0.00  0.00           O+0
HETATM   26  S   UNK     0       6.742  -0.626   0.000  0.00  0.00           S-1
HETATM   27  N   UNK     0      -2.667  -3.080   0.000  0.00  0.00           N+0
CONECT    1    2    6                                                       
CONECT    2    1    3   27                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   11                                                  
CONECT    5    4    6    8                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6                                                            
CONECT    8    5    9                                                       
CONECT    9    8   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10    4                                                       
CONECT   12    9   13   26                                                  
CONECT   13   12   14   22                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   18                                                            
CONECT   22   13   23                                                       
CONECT   23   22   24   25   26                                             
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   23   12                                                       
CONECT   27    2                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   58    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₀H₁₂MoN₅O₈PS₂

Average Mass

521.2800 Da

Monoisotopic Mass

522.89409 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

NC1=NC2=C(N[C@@H](CN2)C2=C([S-][Mo](=O)(=O)[S-]2)[C@@H](O)COP([O-])([O-])=O)C(=O)N1

InChI Identifier

InChI=1S/C10H14N5O6PS2.Mo.2O/c11-10-14-8-5(9(17)15-10)13-3(1-12-8)6(23)7(24)4(16)2-21-22(18,19)20;;;/h3-4,13,16H,1-2H2,(H2,18,19,20)(H4,11,12,14,15,17);;;/q-2;;;/p-2/t3-,4-;;;/m0.../s1

InChI Key

DFYXSUSYYWCATL-BLZBDRIDSA-L

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Escherichia coli	Bacteria	KNApSAcK

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-1.8	ALOGPS
logS	-1.9	ALOGPS
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	218.33 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	100.29 m³·mol⁻¹	ChemAxon
Polarizability	38.68 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

Not Available

References

General References

Not Available

Showing NP-Card for Molybdenum cofactor (NP0062866)

MOL for NP0062866 (Molybdenum cofactor)

3D MOL for NP0062866 (Molybdenum cofactor)

3D SDF for NP0062866 (Molybdenum cofactor)

3D-SDF for NP0062866 (Molybdenum cofactor)

PDB for NP0062866 (Molybdenum cofactor)

3D PDB for NP0062866 (Molybdenum cofactor)

SMILES for NP0062866 (Molybdenum cofactor)

INCHI for NP0062866 (Molybdenum cofactor)

Structure for NP0062866 (Molybdenum cofactor)

3D Structure for NP0062866 (Molybdenum cofactor)