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ASINEX-ZINC04009253

 MMsINC code: MMs00295923
Type: Neutral
Formula: C11H10F3N3O2
SMILES:   FC(F)(F)C1(O)N(N=C(C1)C)C(=O)c1cccnc1
InChI:   InChI=1/C11H10F3N3O2/c1-7-5-10(19,11(12,13)14)17(16-7)9(18)8-3-2-4-15-6-8/h2-4,6,19H,5H2,1H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=97.6516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.214 g/mol  logS: -1.67945  SlogP: 1.9742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0775023  Sterimol/B1: 2.04977  Sterimol/B2: 3.25359  Sterimol/B3: 3.62803
  Sterimol/B4: 7.37202  Sterimol/L: 11.8877 
 
 Surface and Volume Properties
  Accessible surface: 433.634  Positive charged surface: 237.613  Negative charged surface: 196.022  Volume: 216.5
  Hydrophobic surface: 265.89  Hydrophilic surface: 167.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.