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PUBCHEM-ZINC06091762

 MMsINC code: MMs03537810
Type: Neutral
Formula: C12H4Cl6O
SMILES:   Clc1c(Cl)c(Cl)ccc1Oc1c(Cl)cc(Cl)cc1Cl
InChI:   InChI=1/C12H4Cl6O/c13-5-3-7(15)12(8(16)4-5)19-9-2-1-6(14)10(17)11(9)18/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.6632 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: 0.154795  Sterimol/B1: 3.37631  Sterimol/B2: 4.73965  Sterimol/B3: 4.76047
  Sterimol/B4: 5.70313  Sterimol/L: 14.4467 
 
 Surface and Volume Properties
  Accessible surface: 502.346  Positive charged surface: 93.5001  Negative charged surface: 408.846  Volume: 270.875
  Hydrophobic surface: 502.346  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.