Mrv1902 04091916132D          

 17 19  0  0  0  0            999 V2000
   -0.0113   -0.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0113   -1.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7259   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7259   -1.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4403   -0.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4403   -1.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176   -0.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176   -1.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7029   -0.1431    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7029   -1.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0352    0.3411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2893    1.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3699    0.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1144    1.1267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1960    1.7930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549    0.0880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1549   -0.1431    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2  1  1  0  0  0  0
  9 11  1  1  0  0  0
 12 11  1  0  0  0  0
  9 13  1  6  0  0  0
 14 12  1  0  0  0  0
 14 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
  5 17  1  0  0  0  0
M  END
> <DATABASE_ID>
DB02712

> <DATABASE_NAME>
drugbank

> <SMILES>
FC1=CC=C2OCC[C@]3(NC(=O)NC3=O)C2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1

> <INCHI_KEY>
LXANPKRCLVQAOG-NSHDSACASA-N

> <FORMULA>
C11H9FN2O3

> <MOLECULAR_WEIGHT>
236.1992

> <EXACT_MASS>
236.059720369

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
20.83860447384796

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-imidazolidine]-2',5'-dione

> <ALOGPS_LOGP>
0.59

> <JCHEM_LOGP>
0.43563233500000015

> <ALOGPS_LOGS>
-1.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.51679357073898

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.672495156369035

> <JCHEM_PKA_STRONGEST_BASIC>
-4.853497835597696

> <JCHEM_POLAR_SURFACE_AREA>
67.43

> <JCHEM_REFRACTIVITY>
54.9447

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.63e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-hydroxytestosterone

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB02712

> <SECONDARY_ACCESSION_NUMBERS>
EXPT03309

> <DRUG_GROUPS>
experimental; investigational

> <GENERIC_NAME>
Sorbinil

> <SYNONYMS>
Sorbinil; sorbinilo; Sorbinilum

$$$$