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ENAMINE-ZINC03188382

 MMsINC code: MMs01300218
Type: Neutral
Formula: C15H12F3N3O3
SMILES:   FC(F)(F)C=1C=CC(=O)N(C=1)CC(=O)N\N=C\c1ccc(O)cc1
InChI:   InChI=1/C15H12F3N3O3/c16-15(17,18)11-3-6-14(24)21(8-11)9-13(23)20-19-7-10-1-4-12(22)5-2-10/h1-8,22H,9H2,(H,20,23)/b19-7+

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Potential Energy
Epot(MMFF94)=95.7879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.273 g/mol  logS: -3.49469  SlogP: 2.1068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0576574  Sterimol/B1: 3.09692  Sterimol/B2: 3.34549  Sterimol/B3: 4.80214
  Sterimol/B4: 5.25797  Sterimol/L: 17.3299 
 
 Surface and Volume Properties
  Accessible surface: 561.918  Positive charged surface: 269.155  Negative charged surface: 292.763  Volume: 278.5
  Hydrophobic surface: 290.81  Hydrophilic surface: 271.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.