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NCID-ZINC01605502

 MMsINC code: MMs02257705
Type: Neutral
Formula: C13H6Cl4O3
SMILES:   Clc1cc(Cl)cc(C(=O)c2cc(Cl)cc(Cl)c2O)c1O
InChI:   InChI=1/C13H6Cl4O3/c14-5-1-7(12(19)9(16)3-5)11(18)8-2-6(15)4-10(17)13(8)20/h1-4,19-20H

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Potential Energy
Epot(MMFF94)=72.1589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352 g/mol  logS: -5.67095  SlogP: 4.9424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174497  Sterimol/B1: 3.22247  Sterimol/B2: 3.58214  Sterimol/B3: 5.33607
  Sterimol/B4: 6.38715  Sterimol/L: 13.6041 
 
 Surface and Volume Properties
  Accessible surface: 512.38  Positive charged surface: 144.782  Negative charged surface: 367.597  Volume: 262.25
  Hydrophobic surface: 411.814  Hydrophilic surface: 100.566
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.