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PUBCHEM-ZINC00641038

 MMsINC code: MMs02718297
Type: Neutral
Formula: C13H7Cl4NO2
SMILES:   Clc1cc(Cl)c(Cl)cc1OC(=O)Nc1ccc(Cl)cc1
InChI:   InChI=1/C13H7Cl4NO2/c14-7-1-3-8(4-2-7)18-13(19)20-12-6-10(16)9(15)5-11(12)17/h1-6H,(H,18,19)

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Potential Energy
Epot(MMFF94)=60.9709 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: 0.0738023  Sterimol/B1: 3.25409  Sterimol/B2: 3.54839  Sterimol/B3: 3.55157
  Sterimol/B4: 5.38643  Sterimol/L: 16.4527 
 
 Surface and Volume Properties
  Accessible surface: 531.035  Positive charged surface: 159.586  Negative charged surface: 371.449  Volume: 266.75
  Hydrophobic surface: 485.138  Hydrophilic surface: 45.897
 
 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.