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PUBCHEM-ZINC06091767

 MMsINC code: MMs03537815
Type: Neutral
Formula: C12H4Cl6O
SMILES:   Clc1c(Cl)c(Cl)ccc1Oc1cc(Cl)cc(Cl)c1Cl
InChI:   InChI=1/C12H4Cl6O/c13-5-3-7(15)10(16)9(4-5)19-8-2-1-6(14)11(17)12(8)18/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.9501 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: 0.154042  Sterimol/B1: 2.47317  Sterimol/B2: 3.97549  Sterimol/B3: 5.84805
  Sterimol/B4: 6.17015  Sterimol/L: 14.4687 
 
 Surface and Volume Properties
  Accessible surface: 507.164  Positive charged surface: 98.5752  Negative charged surface: 408.588  Volume: 267.375
  Hydrophobic surface: 507.164  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.