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ENAMINE-ZINC03214939

 MMsINC code: MMs01309224
Type: Neutral
Formula: C10H10ClF3N2O
SMILES:   Clc1cc(cnc1NC(=O)C(C)C)C(F)(F)F
InChI:   InChI=1/C10H10ClF3N2O/c1-5(2)9(17)16-8-7(11)3-6(4-15-8)10(12,13)14/h3-5H,1-2H3,(H,15,16,17)

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Potential Energy
Epot(MMFF94)=41.7768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.65 g/mol  logS: -2.84183  SlogP: 3.6598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391503  Sterimol/B1: 2.45397  Sterimol/B2: 3.56804  Sterimol/B3: 4.1474
  Sterimol/B4: 4.64971  Sterimol/L: 13.3918 
 
 Surface and Volume Properties
  Accessible surface: 438.645  Positive charged surface: 197.722  Negative charged surface: 240.923  Volume: 210
  Hydrophobic surface: 251.631  Hydrophilic surface: 187.014
 
 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.