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PUBCHEM-ZINC02005557

 MMsINC code: MMs02845883
Type: Neutral
Formula: C12H6Cl4O
SMILES:   Clc1c(ccc(Cl)c1O)-c1cc(Cl)c(Cl)cc1
InChI:   InChI=1/C12H6Cl4O/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5,17H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.991 g/mol  logS: -6.38647  SlogP: 5.6728  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0673885  Sterimol/B1: 2.21007  Sterimol/B2: 2.6966  Sterimol/B3: 3.96962
  Sterimol/B4: 5.54135  Sterimol/L: 14.5635 
 
 Surface and Volume Properties
  Accessible surface: 461.196  Positive charged surface: 137.081  Negative charged surface: 319.672  Volume: 234
  Hydrophobic surface: 420.472  Hydrophilic surface: 40.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.