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PUBCHEM-ZINC05784896

 MMsINC code: MMs03385036
Type: Neutral
Formula: C12H4Cl4O2
SMILES:   Clc1cc(Cl)cc2Oc3c(Oc12)c(Cl)ccc3Cl
InChI:   InChI=1/C12H4Cl4O2/c13-5-3-8(16)10-9(4-5)17-11-6(14)1-2-7(15)12(11)18-10/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.4536 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: 1.81048e-07  Sterimol/B1: 2.09744  Sterimol/B2: 2.09837  Sterimol/B3: 4.46729
  Sterimol/B4: 5.89474  Sterimol/L: 13.1389 
 
 Surface and Volume Properties
  Accessible surface: 465.305  Positive charged surface: 133.96  Negative charged surface: 331.345  Volume: 236.5
  Hydrophobic surface: 465.305  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.