[NO NAME]
  Mrv0541 04211212552D          
Created with ChemWriter - http://chemwriter.com
 25 28  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
DB06710

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1

> <INCHI_KEY>
GCKMFJBGXUYNAG-HLXURNFRSA-N

> <FORMULA>
C20H30O2

> <MOLECULAR_WEIGHT>
302.451

> <EXACT_MASS>
302.224580204

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
2.964057959324137e-08

> <JCHEM_AVERAGE_POLARIZABILITY>
35.85049910033874

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,3aS,3bR,9aR,9bS,11aS)-1-hydroxy-1,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

> <ALOGPS_LOGP>
3.61

> <JCHEM_LOGP>
3.6459999660000006

> <ALOGPS_LOGS>
-4.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.523731148751548

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5280694266992777

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
89.068

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.39e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB06710

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Methyltestosterone

> <SYNONYMS>
17-beta-Hydroxy-17-methylandrost-4-en-3-one; 17-methyltestosterone; 17alpha-Methyl-3-oxo-4-androsten-17beta-ol; 17alpha-Methyltestosterone; 17beta-Hydroxy-17-methylandrost-4-en-3-one; 17α-methyl-Δ4-androsten-17β-ol-3-one; 17α-methyltestosterone; 4-Androstene-17alpha-methyl-17beta-ol-3-one; Methyltestosterone; Methyltestosteronum; Metiltestosterona

> <PRODUCTS>
Android; Covaryx; Covaryx Hs; Eemt; Eemt D.S.; Eemt H.S.; Eemt Hs; Essian; Essian H.S.; Esterified Estrogen and Methyltestosterone; Esterified Estrogens and Methyltestosterone; Esterified Estrogens and Methyltestosterone Half-Strength; Esterified Estrogens and Methytestesterone; Metandren 10mg; Metandren 25mg; Methitest; MethylTESTOSTERone; Methyltestosterone; Syntest D.S.; Syntest H.S.; Testred C-III

> <INTERNATIONAL_BRANDS>
Testred; Virilon

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