1119
  -OEChem-01132114253D

  3  2  0     0  0  0  0  0  0999 V2000
    0.0000   -0.5774    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3091    0.2887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3091    0.2887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
M  END
> <DATABASE_ID>
DB16426

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

> <ORIGINAL_SOURCE_URL>
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RAHZWNYVWXNFOC-UHFFFAOYSA-N/SDF?record_type=3d

> <SMILES>
O=S=O

> <INCHI_IDENTIFIER>
InChI=1S/O2S/c1-3-2

> <INCHI_KEY>
RAHZWNYVWXNFOC-UHFFFAOYSA-N

> <FORMULA>
O2S

> <MOLECULAR_WEIGHT>
64.06

> <EXACT_MASS>
63.961900414

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
4.254734241185147

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(oxo-lambda4-sulfanylidene)oxidane

> <JCHEM_LOGP>
0.31716681366666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
8.6416

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
N-demethyldiltiazem

> <JCHEM_VEBER_RULE>
1

$$$$