Mrv0541 02231220312D          

 24 27  0  0  1  0            999 V2000
   15.7667   -5.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7667   -6.0307    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4812   -6.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1956   -6.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1956   -5.2056    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4812   -4.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9101   -6.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6246   -6.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6246   -5.2056    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.9101   -4.7931    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3390   -4.7931    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3390   -3.9681    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.6246   -3.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9101   -3.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1238   -5.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6087   -4.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1238   -3.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0522   -6.4432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4253   -3.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3787   -2.9286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9101   -5.6182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1956   -4.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6246   -4.3806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4253   -5.6136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  6  0  0  0
 12 19  1  1  0  0  0
 17 20  2  0  0  0  0
 10 21  1  6  0  0  0
  5 22  1  1  0  0  0
  9 23  1  1  0  0  0
 11 24  1  6  0  0  0
M  END
> <DATABASE_ID>
CHEM036011

> <DATABASE_NAME>
chemdb

> <SMILES>
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](O)CC[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1

> <INCHI_KEY>
FMGSKLZLMKYGDP-HKQXQEGQSA-N

> <FORMULA>
C19H28O2

> <MOLECULAR_WEIGHT>
288.4244

> <EXACT_MASS>
288.20893014

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
33.95878993379053

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2R,5R,10R,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-one

> <ALOGPS_LOGP>
3.53

> <JCHEM_LOGP>
3.361705055333334

> <ALOGPS_LOGS>
-3.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.957705855663583

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.204289505502594

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3972434077338853

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
84.65889999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.38e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dehydroandrosterone

> <JCHEM_VEBER_RULE>
1

> <NAME>
Dehydroandrosterone

> <CAS>
2283-82-1

$$$$