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IBS-ZINC02311292

 MMsINC code: MMs01829519
Type: Neutral
Formula: C10H8F6N2O
SMILES:   FC(F)(F)C(C(=O)Nc1nc(ccc1)C)C(F)(F)F
InChI:   InChI=1/C10H8F6N2O/c1-5-3-2-4-6(17-5)18-8(19)7(9(11,12)13)10(14,15)16/h2-4,7H,1H3,(H,17,18,19)

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Potential Energy
Epot(MMFF94)=-2.30651 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.175 g/mol  logS: -2.87594  SlogP: 3.90912  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0538078  Sterimol/B1: 2.11727  Sterimol/B2: 3.03209  Sterimol/B3: 3.27456
  Sterimol/B4: 6.38699  Sterimol/L: 12.4678 
 
 Surface and Volume Properties
  Accessible surface: 432.095  Positive charged surface: 174.164  Negative charged surface: 257.932  Volume: 203.375
  Hydrophobic surface: 216.947  Hydrophilic surface: 215.148
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.