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PUBCHEM-ZINC05784756

 MMsINC code: MMs03384971
Type: Neutral
Formula: C12H4Cl6O
SMILES:   Clc1c(Cl)c(Oc2cc(Cl)c(Cl)cc2)cc(Cl)c1Cl
InChI:   InChI=1/C12H4Cl6O/c13-6-2-1-5(3-7(6)14)19-9-4-8(15)10(16)12(18)11(9)17/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.6539 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: 0.110235  Sterimol/B1: 2.55896  Sterimol/B2: 3.57152  Sterimol/B3: 4.85081
  Sterimol/B4: 6.27298  Sterimol/L: 14.4165 
 
 Surface and Volume Properties
  Accessible surface: 507.238  Positive charged surface: 101.866  Negative charged surface: 405.372  Volume: 268.875
  Hydrophobic surface: 507.238  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.