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PUBCHEM-ZINC02809941

 MMsINC code: MMs02931439
Type: Neutral
Formula: C13H12F2NO2P
SMILES:   P(Oc1ccc(F)cc1)(=O)(Nc1ccc(F)cc1)C
InChI:   InChI=1/C13H12F2NO2P/c1-19(17,16-12-6-2-10(14)3-7-12)18-13-8-4-11(15)5-9-13/h2-9H,1H3,(H,16,17)/t19-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.7533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.214 g/mol  logS: -3.17001  SlogP: 3.2084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0857161  Sterimol/B1: 2.16938  Sterimol/B2: 2.819  Sterimol/B3: 4.26503
  Sterimol/B4: 4.80107  Sterimol/L: 15.3696 
 
 Surface and Volume Properties
  Accessible surface: 470.466  Positive charged surface: 228.321  Negative charged surface: 242.145  Volume: 240
  Hydrophobic surface: 398.457  Hydrophilic surface: 72.009
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.