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ENAMINE-ZINC02663393

 MMsINC code: MMs01283711
Type: Neutral
Formula: C16H11F3N4O2
SMILES:   FC(F)(F)c1cc(NC(=O)Nc2oc(nn2)-c2ccccc2)ccc1
InChI:   InChI=1/C16H11F3N4O2/c17-16(18,19)11-7-4-8-12(9-11)20-14(24)21-15-23-22-13(25-15)10-5-2-1-3-6-10/h1-9H,(H2,20,21,23,24)

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Potential Energy
Epot(MMFF94)=66.2318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.284 g/mol  logS: -6.87737  SlogP: 4.7109  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0127421  Sterimol/B1: 3.01481  Sterimol/B2: 3.32866  Sterimol/B3: 3.53933
  Sterimol/B4: 4.5248  Sterimol/L: 19.7144 
 
 Surface and Volume Properties
  Accessible surface: 568.003  Positive charged surface: 256.872  Negative charged surface: 311.13  Volume: 286.625
  Hydrophobic surface: 324.764  Hydrophilic surface: 243.239
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.