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ASINEX-ZINC00614611

 MMsINC code: MMs00141078
Type: Neutral
Formula: C15H11N3O2
SMILES:   o1nc(cc1-c1ccccc1)C(=O)Nc1cccnc1
InChI:   InChI=1/C15H11N3O2/c19-15(17-12-7-4-8-16-10-12)13-9-14(20-18-13)11-5-2-1-3-6-11/h1-10H,(H,17,19)

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Potential Energy
Epot(MMFF94)=88.9196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.272 g/mol  logS: -3.29118  SlogP: 2.9889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00657221  Sterimol/B1: 2.48458  Sterimol/B2: 2.66593  Sterimol/B3: 3.51241
  Sterimol/B4: 4.1936  Sterimol/L: 17.7489 
 
 Surface and Volume Properties
  Accessible surface: 499.689  Positive charged surface: 289.536  Negative charged surface: 210.154  Volume: 247.25
  Hydrophobic surface: 404.968  Hydrophilic surface: 94.721
 
 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.