Mrv1718010311719222D          

  4  3  0  0  0  0            999 V2000
    0.6185    0.7142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2056    0.0000    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
    0.6185   -0.7142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6185    0.0000    0.0000 O   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
  2  4  2  0  0  0  0
M  CHG  1   2   6
M  END
> <DATABASE_ID>
DB04494

> <DATABASE_NAME>
drugbank

> <SMILES>
O[Mo+6](O)=O

> <INCHI_IDENTIFIER>
InChI=1S/Mo.2H2O.O/h;2*1H2;/q+8;;;/p-2

> <INCHI_KEY>
GKDPEXRCAVYDOG-UHFFFAOYSA-L

> <FORMULA>
H2MoO3

> <MOLECULAR_WEIGHT>
145.95

> <EXACT_MASS>
147.905801776

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
5.526440972345751

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
6

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dihydroxy(oxo)molybdenumhexakis(ylium)

> <JCHEM_LOGP>
-1.4238

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
5

> <JCHEM_PKA>
8.301029995663981

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.6989700043360183

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
6.5721

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
mo(vi)(=O)(oh)2 cluster

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB04494

> <SECONDARY_ACCESSION_NUMBERS>
EXPT02435

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Dihydroxy(oxo)molybdenum(6+)

$$$$