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CHEMBRIDGE-ZINC00786520

 MMsINC code: MMs00644542
Type: Neutral
Formula: C15H10Cl2F3NO2
SMILES:   Clc1cc(Cl)ccc1OCC(=O)Nc1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C15H10Cl2F3NO2/c16-10-4-5-13(12(17)7-10)23-8-14(22)21-11-3-1-2-9(6-11)15(18,19)20/h1-7H,8H2,(H,21,22)

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Potential Energy
Epot(MMFF94)=89.3078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.15 g/mol  logS: -5.95682  SlogP: 5.3412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0198348  Sterimol/B1: 2.692  Sterimol/B2: 2.81859  Sterimol/B3: 3.79321
  Sterimol/B4: 6.48637  Sterimol/L: 17.6121 
 
 Surface and Volume Properties
  Accessible surface: 557.247  Positive charged surface: 195.461  Negative charged surface: 361.786  Volume: 283.625
  Hydrophobic surface: 406.981  Hydrophilic surface: 150.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.