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PUBCHEM-ZINC06091763

 MMsINC code: MMs03537811
Type: Neutral
Formula: C12H4Cl6O
SMILES:   Clc1c(Cl)c(Cl)ccc1Oc1cc(Cl)c(Cl)c(Cl)c1
InChI:   InChI=1/C12H4Cl6O/c13-6-1-2-9(12(18)11(6)17)19-5-3-7(14)10(16)8(15)4-5/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.53 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: 0.150337  Sterimol/B1: 3.38247  Sterimol/B2: 4.74044  Sterimol/B3: 4.74732
  Sterimol/B4: 5.69134  Sterimol/L: 14.4594 
 
 Surface and Volume Properties
  Accessible surface: 509.595  Positive charged surface: 101.377  Negative charged surface: 408.219  Volume: 267
  Hydrophobic surface: 509.595  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.