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PUBCHEM-ZINC02019271

 MMsINC code: MMs02854930
Type: Neutral
Formula: C8H9Cl2O2P
SMILES:   ClCP(Oc1ccccc1)(=O)CCl
InChI:   InChI=1/C8H9Cl2O2P/c9-6-13(11,7-10)12-8-4-2-1-3-5-8/h1-5H,6-7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.7523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.038 g/mol  logS: -2.00046  SlogP: 2.6659  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0932216  Sterimol/B1: 2.9302  Sterimol/B2: 2.963  Sterimol/B3: 3.93171
  Sterimol/B4: 4.46154  Sterimol/L: 12.4011 
 
 Surface and Volume Properties
  Accessible surface: 402.893  Positive charged surface: 172.199  Negative charged surface: 230.694  Volume: 195.875
  Hydrophobic surface: 252.79  Hydrophilic surface: 150.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.