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ASINEX-ZINC00350057

 MMsINC code: MMs00122374
Type: Neutral
Formula: C14H12N4O2
SMILES:   o1cccc1C(=O)n1nc(nc1N)-c1ccc(cc1)C
InChI:   InChI=1/C14H12N4O2/c1-9-4-6-10(7-5-9)12-16-14(15)18(17-12)13(19)11-3-2-8-20-11/h2-8H,1H3,(H2,15,16,17)

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Potential Energy
Epot(MMFF94)=68.0571 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.276 g/mol  logS: -5.26637  SlogP: 2.11722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0035502  Sterimol/B1: 2.10275  Sterimol/B2: 2.51212  Sterimol/B3: 4.17121
  Sterimol/B4: 6.82867  Sterimol/L: 15.0891 
 
 Surface and Volume Properties
  Accessible surface: 499.686  Positive charged surface: 281.042  Negative charged surface: 218.644  Volume: 247.625
  Hydrophobic surface: 362.891  Hydrophilic surface: 136.795
 
 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.