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PUBCHEM-ZINC02569337

 MMsINC code: MMs02902481
Type: Neutral
Formula: C12H4Cl4O2
SMILES:   Clc1c2Oc3c(Oc2ccc1Cl)ccc(Cl)c3Cl
InChI:   InChI=1/C12H4Cl4O2/c13-5-1-3-7-11(9(5)15)18-12-8(17-7)4-2-6(14)10(12)16/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.8015 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: 1.887e-07  Sterimol/B1: 2.09707  Sterimol/B2: 2.09866  Sterimol/B3: 2.56463
  Sterimol/B4: 6.55264  Sterimol/L: 14.2522 
 
 Surface and Volume Properties
  Accessible surface: 457.271  Positive charged surface: 141.176  Negative charged surface: 316.095  Volume: 237.625
  Hydrophobic surface: 457.271  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.