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IBS-ZINC06756198

 MMsINC code: MMs01968042
Type: Neutral
Formula: C15H13FN4O
SMILES:   Fc1cc(ccc1)C(=O)NC(C)c1n2c(nn1)C=CC=C2
InChI:   InChI=1/C15H13FN4O/c1-10(14-19-18-13-7-2-3-8-20(13)14)17-15(21)11-5-4-6-12(16)9-11/h2-10H,1H3,(H,17,21)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=44.4362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.294 g/mol  logS: -2.97804  SlogP: 2.5012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0897604  Sterimol/B1: 2.24378  Sterimol/B2: 2.32543  Sterimol/B3: 5.47929
  Sterimol/B4: 6.12587  Sterimol/L: 15.7729 
 
 Surface and Volume Properties
  Accessible surface: 507.544  Positive charged surface: 246.237  Negative charged surface: 261.308  Volume: 260.25
  Hydrophobic surface: 410.135  Hydrophilic surface: 97.409
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.