Mrv1652310201623002D          

  8  7  0  0  1  0            999 V2000
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 N   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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  6  0  0  0
  1  8  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11920

> <DATABASE_NAME>
drugbank

> <SMILES>
NC[C@@H](F)CP(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1

> <INCHI_KEY>
LJNUIEQATDYXJH-GSVOUGTGSA-N

> <FORMULA>
C3H9FNO2P

> <MOLECULAR_WEIGHT>
141.082

> <EXACT_MASS>
141.035493695

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
11.488160905311204

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R)-3-amino-2-fluoropropyl]phosphinic acid

> <ALOGPS_LOGP>
-1.65

> <JCHEM_LOGP>
-2.80179927504791

> <ALOGPS_LOGS>
-0.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.1559518241542825

> <JCHEM_PKA_STRONGEST_BASIC>
8.918975857343382

> <JCHEM_POLAR_SURFACE_AREA>
63.31999999999999

> <JCHEM_REFRACTIVITY>
27.6768

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.32e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lesogaberan

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11920

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Lesogaberan

> <SYNONYMS>
Lesogaberan

$$$$