Mrv0541 02231214452D          

  7  6  0  0  0  0            999 V2000
    2.8075   -0.2615    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    0.4529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2200   -0.9760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.9760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
> <DATABASE_ID>
DB00529

> <DATABASE_NAME>
drugbank

> <SMILES>
OC(=O)P(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)

> <INCHI_KEY>
ZJAOAACCNHFJAH-UHFFFAOYSA-N

> <FORMULA>
CH3O5P

> <MOLECULAR_WEIGHT>
126.0053

> <EXACT_MASS>
125.971809718

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-2.0258066830991783

> <JCHEM_AVERAGE_POLARIZABILITY>
7.88806212921223

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
phosphonoformic acid

> <ALOGPS_LOGP>
-1.63

> <JCHEM_LOGP>
-0.8303841046666666

> <ALOGPS_LOGS>
-0.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.497768602888783

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.0956752196313019

> <JCHEM_POLAR_SURFACE_AREA>
94.83000000000001

> <JCHEM_REFRACTIVITY>
19.0731

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.68e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00529

> <SECONDARY_ACCESSION_NUMBERS>
APRD00669

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Foscarnet

> <SYNONYMS>
Carboxyphosphonic acid; Foscarmet; Phosphonoformate; Phosphonoformic acid; Phosphonomethanoic acid

> <PRODUCTS>
Foscarnet; Foscarnet Sodium; Foscavir; Foscavir UK; Vocarvi

> <INTERNATIONAL_BRANDS>
Triapten

> <SALTS>
Foscarnet sodium

$$$$