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PUBCHEM-ZINC05998510

 MMsINC code: MMs03482532
Type: Neutral
Formula: C13H11Cl2O3P
SMILES:   Clc1ccc(Cl)cc1OP(OC)(=O)c1ccccc1
InChI:   InChI=1/C13H11Cl2O3P/c1-17-19(16,11-5-3-2-4-6-11)18-13-9-10(14)7-8-12(13)15/h2-9H,1H3/t19-/m1/s1

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Potential Energy
Epot(MMFF94)=61.0497 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: 0.0727293  Sterimol/B1: 2.35676  Sterimol/B2: 3.3742  Sterimol/B3: 3.93766
  Sterimol/B4: 7.37885  Sterimol/L: 14.5008 
 
 Surface and Volume Properties
  Accessible surface: 498.655  Positive charged surface: 215.622  Negative charged surface: 283.033  Volume: 262.75
  Hydrophobic surface: 469.898  Hydrophilic surface: 28.757
 
 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.