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CHEMBRIDGE-ZINC02809918

 MMsINC code: MMs00716808
Type: Neutral
Formula: C13H11Cl2O3P
SMILES:   Clc1ccc(OP(Oc2ccc(Cl)cc2)(=O)C)cc1
InChI:   InChI=1/C13H11Cl2O3P/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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Potential Energy
Epot(MMFF94)=52.8874 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.108 g/mol  logS: -4.48412  SlogP: 4.2039  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116968  Sterimol/B1: 2.19461  Sterimol/B2: 3.09425  Sterimol/B3: 3.94589
  Sterimol/B4: 7.41856  Sterimol/L: 14.932 
 
 Surface and Volume Properties
  Accessible surface: 507.991  Positive charged surface: 209.495  Negative charged surface: 298.495  Volume: 263.125
  Hydrophobic surface: 456.094  Hydrophilic surface: 51.897
 
 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.