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ASINEX-ZINC02903097

 MMsINC code: MMs00280757
Type: Neutral
Formula: C13H12N4O2
SMILES:   O=C(Nc1ncccc1)C(=O)NCc1cccnc1
InChI:   InChI=1/C13H12N4O2/c18-12(16-9-10-4-3-6-14-8-10)13(19)17-11-5-1-2-7-15-11/h1-8H,9H2,(H,16,18)(H,15,17,19)

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Potential Energy
Epot(MMFF94)=52.1469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.265 g/mol  logS: -1.32242  SlogP: 0.9979  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0360861  Sterimol/B1: 3.50932  Sterimol/B2: 3.72348  Sterimol/B3: 3.99333
  Sterimol/B4: 4.52502  Sterimol/L: 16.5564 
 
 Surface and Volume Properties
  Accessible surface: 495.452  Positive charged surface: 334.309  Negative charged surface: 161.142  Volume: 238.375
  Hydrophobic surface: 361.429  Hydrophilic surface: 134.023
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.