Mrv1902 03111915092D          

  5  4  0  0  0  0            999 V2000
    2.3834   -0.0446    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    0.7804    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    3.2084   -0.0446    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5584   -0.0446    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834   -0.8696    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
M  CHG  2   2  -1   5  -1
M  END
> <DATABASE_ID>
DB05088

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/Mo.4S/q;;;2*-1

> <INCHI_KEY>
CXVCSRUYMINUSF-UHFFFAOYSA-N

> <FORMULA>
MoS4

> <MOLECULAR_WEIGHT>
224.19

> <EXACT_MASS>
225.794787

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
14.293677329414066

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(sulfanidyldisulfanylidenemolybdenio)sulfanide

> <JCHEM_LOGP>
1.5672

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.56029999933961

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.203238873731138

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
37.7352

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tetrathiomolybdate

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB05088

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Tetrathiomolybdate

> <SYNONYMS>
Thiomolybdate; Tiomolibdate ion

> <INTERNATIONAL_BRANDS>
Copexa; Coprexa

> <SALTS>
Choline tetrathiomolybdate

$$$$