Mrv1909 12271913552D          

  4  3  0  0  0  0            999 V2000
    0.0000   -0.2062    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6187    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
M  END
> <DATABASE_ID>
DB03328

> <DATABASE_NAME>
drugbank

> <SMILES>
S[Mo](=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/Mo.2O.H2S/h;;;1H2/q+1;;;/p-1

> <INCHI_KEY>
BDSRWPHSAKXXRG-UHFFFAOYSA-M

> <FORMULA>
HMoO2S

> <MOLECULAR_WEIGHT>
161.01

> <EXACT_MASS>
162.875132812

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
7.482061216144061

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
molybdenumoylthiol

> <JCHEM_LOGP>
-0.30199999999999994

> <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>
9.4416

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-[(diaminomethylidene)amino]-1-oxopentan-2-yl]cyclopentanecarboxamide

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB03328

> <SECONDARY_ACCESSION_NUMBERS>
EXPT02214

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Dioxo(sulfanyl)molybdenum

$$$$