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ENAMINE-ZINC03576918

 MMsINC code: MMs01516091
Type: Neutral
Formula: C14H13F3N4O
SMILES:   FC(F)(F)c1nn(cc1)CC(=O)N\N=C\c1cc(ccc1)C
InChI:   InChI=1/C14H13F3N4O/c1-10-3-2-4-11(7-10)8-18-19-13(22)9-21-6-5-12(20-21)14(15,16)17/h2-8H,9H2,1H3,(H,19,22)/b18-8+

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Potential Energy
Epot(MMFF94)=96.6898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.279 g/mol  logS: -3.57803  SlogP: 2.93852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0201909  Sterimol/B1: 3.01129  Sterimol/B2: 3.21838  Sterimol/B3: 3.603
  Sterimol/B4: 4.95585  Sterimol/L: 17.7062 
 
 Surface and Volume Properties
  Accessible surface: 557.786  Positive charged surface: 278.939  Negative charged surface: 278.847  Volume: 268.625
  Hydrophobic surface: 337.281  Hydrophilic surface: 220.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.