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NCID-ZINC00398597

 MMsINC code: MMs02215865
Type: Neutral
Formula: C13H8Cl3NO2
SMILES:   Clc1ccc(Cl)cc1OC(=O)Nc1cc(Cl)ccc1
InChI:   InChI=1/C13H8Cl3NO2/c14-8-2-1-3-10(6-8)17-13(18)19-12-7-9(15)4-5-11(12)16/h1-7H,(H,17,18)

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Potential Energy
Epot(MMFF94)=56.831 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: 0.0743722  Sterimol/B1: 3.01771  Sterimol/B2: 4.10997  Sterimol/B3: 4.56246
  Sterimol/B4: 5.79884  Sterimol/L: 14.2238 
 
 Surface and Volume Properties
  Accessible surface: 507.976  Positive charged surface: 178.369  Negative charged surface: 329.606  Volume: 253.375
  Hydrophobic surface: 458.066  Hydrophilic surface: 49.91
 
 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.