Mrv1533004191513432D          

 31 35  0  0  0  0            999 V2000
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    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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M  END
> <DATABASE_ID>
NP0056544

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C2C=CC(C)(C)OC2=CC=C1C1=COC2=CC3=C(C=CC(C)(C)O3)C=C2C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H24O5/c1-25(2)10-8-15-12-18-22(13-21(15)31-25)29-14-19(23(18)27)16-6-7-20-17(24(16)28-5)9-11-26(3,4)30-20/h6-14H,1-5H3

> <INCHI_KEY>
JANOATQYNVFIDV-UHFFFAOYSA-N

> <FORMULA>
C26H24O5

> <MOLECULAR_WEIGHT>
416.473

> <EXACT_MASS>
416.162373873

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
46.39972570687278

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-8,8-dimethyl-4H,8H-pyrano[3,2-g]chromen-4-one

> <ALOGPS_LOGP>
5.39

> <JCHEM_LOGP>
4.981143892999999

> <ALOGPS_LOGS>
-5.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.380957417296387

> <JCHEM_POLAR_SURFACE_AREA>
53.99

> <JCHEM_REFRACTIVITY>
120.99020000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.04e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
munetone

> <JCHEM_VEBER_RULE>
0

> <NP-MRD_ID>
NP0056544

> <GENERIC_NAME>
Munetone

$$$$