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NCID-ZINC00398002

 MMsINC code: MMs02215729
Type: Neutral
Formula: C13H8Cl3NO2
SMILES:   Clc1cccc(Cl)c1NC(Oc1ccc(Cl)cc1)=O
InChI:   InChI=1/C13H8Cl3NO2/c14-8-4-6-9(7-5-8)19-13(18)17-12-10(15)2-1-3-11(12)16/h1-7H,(H,17,18)

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Potential Energy
Epot(MMFF94)=80.9316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.571 g/mol  logS: -5.59899  SlogP: 5.2577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0522351  Sterimol/B1: 2.49537  Sterimol/B2: 3.579  Sterimol/B3: 3.85928
  Sterimol/B4: 5.55909  Sterimol/L: 15.3527 
 
 Surface and Volume Properties
  Accessible surface: 492.311  Positive charged surface: 179.931  Negative charged surface: 312.38  Volume: 253.75
  Hydrophobic surface: 448.37  Hydrophilic surface: 43.941
 
 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.