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PUBCHEM-ZINC06091477

 MMsINC code: MMs03537489
Type: Neutral
Formula: C12H4Cl4O3
SMILES:   Clc1c(O)c2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl
InChI:   InChI=1/C12H4Cl4O3/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3,17H

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Potential Energy
Epot(MMFF94)=65.2811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.973 g/mol  logS: -6.70349  SlogP: 5.9038  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00290259  Sterimol/B1: 2.097  Sterimol/B2: 2.25672  Sterimol/B3: 2.80944
  Sterimol/B4: 5.65649  Sterimol/L: 14.4018 
 
 Surface and Volume Properties
  Accessible surface: 476.719  Positive charged surface: 152.951  Negative charged surface: 323.769  Volume: 240.25
  Hydrophobic surface: 432.439  Hydrophilic surface: 44.28
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.