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ASINEX-ZINC01199573

 MMsINC code: MMs00230844
Type: Neutral
Formula: C9H5F6N3O2
SMILES:   FC(F)(F)C(=O)Nc1nc(NC(=O)C(F)(F)F)ccc1
InChI:   InChI=1/C9H5F6N3O2/c10-8(11,12)6(19)17-4-2-1-3-5(16-4)18-7(20)9(13,14)15/h1-3H,(H2,16,17,18,19,20)

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Potential Energy
Epot(MMFF94)=95.2899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.146 g/mol  logS: -3.31942  SlogP: 2.923  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0294039  Sterimol/B1: 2.44564  Sterimol/B2: 2.56495  Sterimol/B3: 2.8038
  Sterimol/B4: 7.8091  Sterimol/L: 11.981 
 
 Surface and Volume Properties
  Accessible surface: 437.996  Positive charged surface: 143.128  Negative charged surface: 294.867  Volume: 197.25
  Hydrophobic surface: 114.596  Hydrophilic surface: 323.4
 
 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.