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CHEMBRIDGE-ZINC02900569

 MMsINC code: MMs00738869
Type: Neutral
Formula: C10H9F6O4P
SMILES:   P(Oc1ccccc1)(OCC(F)(F)F)(OCC(F)(F)F)=O
InChI:   InChI=1/C10H9F6O4P/c11-9(12,13)6-18-21(17,19-7-10(14,15)16)20-8-4-2-1-3-5-8/h1-5H,6-7H2

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Potential Energy
Epot(MMFF94)=53.8977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.14 g/mol  logS: -3.734  SlogP: 4.1009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651415  Sterimol/B1: 2.95487  Sterimol/B2: 3.0936  Sterimol/B3: 3.80965
  Sterimol/B4: 6.38729  Sterimol/L: 14.0254 
 
 Surface and Volume Properties
  Accessible surface: 483.365  Positive charged surface: 156.202  Negative charged surface: 327.163  Volume: 234.5
  Hydrophobic surface: 223.153  Hydrophilic surface: 260.212
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.