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PUBCHEM-ZINC00897030

 MMsINC code: MMs02741790
Type: Neutral
Formula: C12H4Cl4O2
SMILES:   Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl
InChI:   InChI=1/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.3481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.974 g/mol  logS: -7.06544  SlogP: 6.1982  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.31738e-07  Sterimol/B1: 2.09701  Sterimol/B2: 2.09838  Sterimol/B3: 2.56441
  Sterimol/B4: 5.33833  Sterimol/L: 14.2486 
 
 Surface and Volume Properties
  Accessible surface: 465.992  Positive charged surface: 135.596  Negative charged surface: 330.396  Volume: 236.875
  Hydrophobic surface: 465.992  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.