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NCID-ZINC01709706

 MMsINC code: MMs02337042
Type: Neutral
Formula: C10H12FN2O5P
SMILES:   P1(OCC([N+](=O)[O-])(CO1)C)(=O)Nc1cc(F)ccc1
InChI:   InChI=1/C10H12FN2O5P/c1-10(13(14)15)6-17-19(16,18-7-10)12-9-4-2-3-8(11)5-9/h2-5H,6-7H2,1H3,(H,12,16)/t10-,19-

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Potential Energy
Epot(MMFF94)=11.9975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.187 g/mol  logS: -2.66427  SlogP: 1.3577  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.112783  Sterimol/B1: 3.03435  Sterimol/B2: 3.75287  Sterimol/B3: 4.05032
  Sterimol/B4: 5.01738  Sterimol/L: 13.6598 
 
 Surface and Volume Properties
  Accessible surface: 445.493  Positive charged surface: 214.77  Negative charged surface: 230.723  Volume: 225.25
  Hydrophobic surface: 293.973  Hydrophilic surface: 151.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.