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PUBCHEM-ZINC06091958

 MMsINC code: MMs03538044
Type: Neutral
Formula: C12H4Cl6O
SMILES:   Clc1c(Oc2ccc(Cl)cc2Cl)c(Cl)c(Cl)cc1Cl
InChI:   InChI=1/C12H4Cl6O/c13-5-1-2-9(6(14)3-5)19-12-10(17)7(15)4-8(16)11(12)18/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.1568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.881 g/mol  logS: -7.57333  SlogP: 7.3993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184497  Sterimol/B1: 2.55859  Sterimol/B2: 4.69398  Sterimol/B3: 4.86221
  Sterimol/B4: 6.52444  Sterimol/L: 12.9649 
 
 Surface and Volume Properties
  Accessible surface: 507.066  Positive charged surface: 95.2474  Negative charged surface: 411.819  Volume: 267.875
  Hydrophobic surface: 507.066  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.