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NCID-ZINC00398046

 MMsINC code: MMs02215746
Type: Neutral
Formula: C13H8Cl3NO2
SMILES:   Clc1cc(Cl)cc(Cl)c1OC(=O)Nc1ccccc1
InChI:   InChI=1/C13H8Cl3NO2/c14-8-6-10(15)12(11(16)7-8)19-13(18)17-9-4-2-1-3-5-9/h1-7H,(H,17,18)

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Potential Energy
Epot(MMFF94)=53.3219 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: 0.0688403  Sterimol/B1: 2.56697  Sterimol/B2: 3.27233  Sterimol/B3: 4.98148
  Sterimol/B4: 5.48936  Sterimol/L: 15.3309 
 
 Surface and Volume Properties
  Accessible surface: 500.299  Positive charged surface: 174.846  Negative charged surface: 325.453  Volume: 254.125
  Hydrophobic surface: 458.136  Hydrophilic surface: 42.163
 
 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.