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ENAMINE-ZINC04939102

 MMsINC code: MMs01567875
Type: Neutral
Formula: C15H10F3N3O
SMILES:   FC(F)(F)c1ccc(NC(=O)c2nc3n(c2)C=CC=C3)cc1
InChI:   InChI=1/C15H10F3N3O/c16-15(17,18)10-4-6-11(7-5-10)19-14(22)12-9-21-8-2-1-3-13(21)20-12/h1-9H,(H,19,22)

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Potential Energy
Epot(MMFF94)=77.951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.259 g/mol  logS: -3.79518  SlogP: 3.9632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0118527  Sterimol/B1: 2.47599  Sterimol/B2: 2.79886  Sterimol/B3: 3.01846
  Sterimol/B4: 4.8165  Sterimol/L: 16.9716 
 
 Surface and Volume Properties
  Accessible surface: 516.685  Positive charged surface: 221.631  Negative charged surface: 295.053  Volume: 254.625
  Hydrophobic surface: 334.79  Hydrophilic surface: 181.895
 
 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.