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PUBCHEM-ZINC05998412

 MMsINC code: MMs03482452
Type: Neutral
Formula: C13H11Cl2O3P
SMILES:   Clc1cccc(Cl)c1OP(OC)(=O)c1ccccc1
InChI:   InChI=1/C13H11Cl2O3P/c1-17-19(16,10-6-3-2-4-7-10)18-13-11(14)8-5-9-12(13)15/h2-9H,1H3/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=75.1988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.108 g/mol  logS: -4.6059  SlogP: 3.467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0985241  Sterimol/B1: 2.45962  Sterimol/B2: 3.68379  Sterimol/B3: 4.64609
  Sterimol/B4: 6.83344  Sterimol/L: 14.4869 
 
 Surface and Volume Properties
  Accessible surface: 484.942  Positive charged surface: 223.598  Negative charged surface: 261.344  Volume: 261.625
  Hydrophobic surface: 462.659  Hydrophilic surface: 22.283
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.