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ENAMINE-ZINC03191028

 MMsINC code: MMs01301185
Type: Neutral
Formula: C12H7F3N2O2
SMILES:   FC(F)(F)C=1C=CC(=O)N(C=1)C(=O)c1cccnc1
InChI:   InChI=1/C12H7F3N2O2/c13-12(14,15)9-3-4-10(18)17(7-9)11(19)8-2-1-5-16-6-8/h1-7H

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Potential Energy
Epot(MMFF94)=96.5493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.194 g/mol  logS: -2.574  SlogP: 2.4863  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651534  Sterimol/B1: 2.34775  Sterimol/B2: 3.2766  Sterimol/B3: 3.50229
  Sterimol/B4: 5.97941  Sterimol/L: 12.0176 
 
 Surface and Volume Properties
  Accessible surface: 415.743  Positive charged surface: 187.014  Negative charged surface: 228.729  Volume: 209.25
  Hydrophobic surface: 228.315  Hydrophilic surface: 187.428
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.