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PUBCHEM-ZINC05998509

 MMsINC code: MMs03482531
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-/m1/s1

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Potential Energy
Epot(MMFF94)=65.667 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: 0.105202  Sterimol/B1: 2.4664  Sterimol/B2: 4.15136  Sterimol/B3: 4.73919
  Sterimol/B4: 6.46056  Sterimol/L: 14.5081 
 
 Surface and Volume Properties
  Accessible surface: 488.876  Positive charged surface: 226.527  Negative charged surface: 262.348  Volume: 261.875
  Hydrophobic surface: 468.724  Hydrophilic surface: 20.152
 
 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.