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ASINEX-ZINC00297744

 MMsINC code: MMs00112642
Type: Neutral
Formula: C10H6N4O2
SMILES:   O=C1N(C(=O)c2c1cccc2)c1nc[nH]n1
InChI:   InChI=1/C10H6N4O2/c15-8-6-3-1-2-4-7(6)9(16)14(8)10-11-5-12-13-10/h1-5H,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=35.5031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.184 g/mol  logS: -2.95883  SlogP: 0.6053  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.43403e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09846  Sterimol/B3: 3.34924
  Sterimol/B4: 4.64601  Sterimol/L: 12.7987 
 
 Surface and Volume Properties
  Accessible surface: 390.824  Positive charged surface: 230.828  Negative charged surface: 159.996  Volume: 182
  Hydrophobic surface: 230.048  Hydrophilic surface: 160.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.