Mrv0541 02231220392D          

  5  4  0  0  0  0            999 V2000
    3.4100   -3.3000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2350   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9975   -2.5856    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    2.9975   -4.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8225   -4.0145    0.0000 O   0  0  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  1  0  0  0  0
  5  1  1  0  0  0  0
M  CHG  1   2  -1
M  END
> <DATABASE_ID>
DBMET01460

> <DATABASE_NAME>
drugbank

> <SMILES>
OP(O)([O-])=[Se]

> <INCHI_IDENTIFIER>
InChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)/p-1

> <INCHI_KEY>
JRPHGDYSKGJTKZ-UHFFFAOYSA-M

> <FORMULA>
H2O3PSe

> <MOLECULAR_WEIGHT>
159.95

> <EXACT_MASS>
160.89067727

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-2.999999965335385

> <JCHEM_AVERAGE_POLARIZABILITY>
6.871685145530006

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dihydroxy(selanylidene)-lambda5-phosphanolate

> <JCHEM_LOGP>
-1.1304999999999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-3

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
-3.1645280069565227

> <JCHEM_PKA_STRONGEST_ACIDIC>
-6.266789329064495

> <JCHEM_POLAR_SURFACE_AREA>
63.519999999999996

> <JCHEM_REFRACTIVITY>
25.202199999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBMET01460

> <NAME>
Selenophosphate

$$$$