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CHEMBRIDGE-ZINC02809874

 MMsINC code: MMs00716806
Type: Neutral
Formula: C13H11F2O3P
SMILES:   P(Oc1ccc(F)cc1)(Oc1ccc(F)cc1)(=O)C
InChI:   InChI=1/C13H11F2O3P/c1-19(16,17-12-6-2-10(14)3-7-12)18-13-8-4-11(15)5-9-13/h2-9H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.6738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.198 g/mol  logS: -3.6055  SlogP: 3.1753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119012  Sterimol/B1: 2.19865  Sterimol/B2: 3.10394  Sterimol/B3: 3.93889
  Sterimol/B4: 7.40902  Sterimol/L: 13.2551 
 
 Surface and Volume Properties
  Accessible surface: 467.548  Positive charged surface: 230.527  Negative charged surface: 237.021  Volume: 238.25
  Hydrophobic surface: 415.652  Hydrophilic surface: 51.896
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.