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PUBCHEM-ZINC00640863

 MMsINC code: MMs02718225
Type: Neutral
Formula: C13H7Cl4NO2
SMILES:   Clc1c(NC(Oc2cc(Cl)ccc2Cl)=O)cccc1Cl
InChI:   InChI=1/C13H7Cl4NO2/c14-7-4-5-8(15)11(6-7)20-13(19)18-10-3-1-2-9(16)12(10)17/h1-6H,(H,18,19)

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Potential Energy
Epot(MMFF94)=67.5877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.016 g/mol  logS: -6.33328  SlogP: 5.9111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.074148  Sterimol/B1: 2.50825  Sterimol/B2: 3.09252  Sterimol/B3: 4.05933
  Sterimol/B4: 6.31936  Sterimol/L: 15.4706 
 
 Surface and Volume Properties
  Accessible surface: 528.823  Positive charged surface: 162.099  Negative charged surface: 366.724  Volume: 268.5
  Hydrophobic surface: 490.512  Hydrophilic surface: 38.311
 
 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.