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CHEMBRIDGE-ZINC00284382

 MMsINC code: MMs00601218
Type: Neutral
Formula: C8H4F3N3O2
SMILES:   FC(F)(F)C(=O)Nc1c2nonc2ccc1
InChI:   InChI=1/C8H4F3N3O2/c9-8(10,11)7(15)12-4-2-1-3-5-6(4)14-16-13-5/h1-3H,(H,12,15)

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Potential Energy
Epot(MMFF94)=117.969 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.133 g/mol  logS: -3.12461  SlogP: 2.1435  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0271649  Sterimol/B1: 2.55003  Sterimol/B2: 2.55332  Sterimol/B3: 2.74121
  Sterimol/B4: 6.02641  Sterimol/L: 11.2616 
 
 Surface and Volume Properties
  Accessible surface: 364.5  Positive charged surface: 131.483  Negative charged surface: 233.018  Volume: 161.75
  Hydrophobic surface: 110.568  Hydrophilic surface: 253.932
 
 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.