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CHEMBRIDGE-ZINC00458185

 MMsINC code: MMs00621862
Type: Neutral
Formula: C11H12ClF3N2O
SMILES:   Clc1cc(cnc1NC(=O)C(C)(C)C)C(F)(F)F
InChI:   InChI=1/C11H12ClF3N2O/c1-10(2,3)9(18)17-8-7(12)4-6(5-16-8)11(13,14)15/h4-5H,1-3H3,(H,16,17,18)

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Potential Energy
Epot(MMFF94)=50.8394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.677 g/mol  logS: -3.0436  SlogP: 4.0499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0682799  Sterimol/B1: 2.21485  Sterimol/B2: 3.62384  Sterimol/B3: 3.62448
  Sterimol/B4: 6.57749  Sterimol/L: 13.3912 
 
 Surface and Volume Properties
  Accessible surface: 462.321  Positive charged surface: 208.94  Negative charged surface: 253.381  Volume: 228.375
  Hydrophobic surface: 268.163  Hydrophilic surface: 194.158
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.