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PUBCHEM-ZINC02570850

 MMsINC code: MMs02902679
Type: Neutral
Formula: C12H4Cl4O2
SMILES:   Clc1c2Oc3cc(Cl)c(Cl)cc3Oc2ccc1Cl
InChI:   InChI=1/C12H4Cl4O2/c13-5-1-2-8-12(11(5)16)18-10-4-7(15)6(14)3-9(10)17-8/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.0809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.974 g/mol  logS: -7.06544  SlogP: 6.1982  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.02788e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09948  Sterimol/B3: 2.56453
  Sterimol/B4: 6.55042  Sterimol/L: 14.3294 
 
 Surface and Volume Properties
  Accessible surface: 462.683  Positive charged surface: 139.067  Negative charged surface: 323.616  Volume: 236.75
  Hydrophobic surface: 462.683  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.