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ASINEX-ZINC00196329

 MMsINC code: MMs00090141
Type: Neutral
Formula: C10H10N6O2
SMILES:   O=C(Nc1ncccc1)c1nc[nH]c1C(=O)NN
InChI:   InChI=1/C10H10N6O2/c11-16-10(18)8-7(13-5-14-8)9(17)15-6-3-1-2-4-12-6/h1-5H,11H2,(H,13,14)(H,16,18)(H,12,15,17)

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Potential Energy
Epot(MMFF94)=73.7689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.23 g/mol  logS: -1.5501  SlogP: -0.3395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00180374  Sterimol/B1: 2.1126  Sterimol/B2: 2.21157  Sterimol/B3: 4.72111
  Sterimol/B4: 5.07472  Sterimol/L: 14.0831 
 
 Surface and Volume Properties
  Accessible surface: 448.717  Positive charged surface: 316.739  Negative charged surface: 131.978  Volume: 211.375
  Hydrophobic surface: 236.72  Hydrophilic surface: 211.997
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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.