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CHEMBRIDGE-ZINC01851211

 MMsINC code: MMs00699152
Type: Neutral
Formula: C13H11F2O3P
SMILES:   P(Oc1ccccc1F)(Oc1ccccc1F)(=O)C
InChI:   InChI=1/C13H11F2O3P/c1-19(16,17-12-8-4-2-6-10(12)14)18-13-9-5-3-7-11(13)15/h2-9H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.6987 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: 0.150674  Sterimol/B1: 2.10258  Sterimol/B2: 2.88261  Sterimol/B3: 4.55668
  Sterimol/B4: 7.30922  Sterimol/L: 12.9224 
 
 Surface and Volume Properties
  Accessible surface: 469.454  Positive charged surface: 234.323  Negative charged surface: 235.131  Volume: 237.5
  Hydrophobic surface: 424.877  Hydrophilic surface: 44.577
 
 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.