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PUBCHEM-ZINC00900744

 MMsINC code: MMs02742197
Type: Neutral
Formula: C12H4Cl4O2
SMILES:   Clc1cc(Cl)cc2Oc3c(Oc12)cc(Cl)cc3Cl
InChI:   InChI=1/C12H4Cl4O2/c13-5-1-7(15)11-9(3-5)18-12-8(16)2-6(14)4-10(12)17-11/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.9859 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: 1.44807e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09834  Sterimol/B3: 3.8348
  Sterimol/B4: 6.55202  Sterimol/L: 14.2835 
 
 Surface and Volume Properties
  Accessible surface: 468.746  Positive charged surface: 126.603  Negative charged surface: 342.143  Volume: 237.875
  Hydrophobic surface: 468.746  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.