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MAYBRIDGE-ZINC00076032

 MMsINC code: MMs02128051
Type: Neutral
Formula: C13H14ClF3N2O2
SMILES:   Clc1ccc(cc1NC(=O)NC(=O)C(C)(C)C)C(F)(F)F
InChI:   InChI=1/C13H14ClF3N2O2/c1-12(2,3)10(20)19-11(21)18-9-6-7(13(15,16)17)4-5-8(9)14/h4-6H,1-3H3,(H2,18,19,20,21)

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Potential Energy
Epot(MMFF94)=61.582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.714 g/mol  logS: -4.21901  SlogP: 4.3645  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0486148  Sterimol/B1: 2.86736  Sterimol/B2: 2.96655  Sterimol/B3: 4.00636
  Sterimol/B4: 7.02076  Sterimol/L: 14.5649 
 
 Surface and Volume Properties
  Accessible surface: 519.696  Positive charged surface: 226.428  Negative charged surface: 293.268  Volume: 262.375
  Hydrophobic surface: 293.115  Hydrophilic surface: 226.581
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.