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PUBCHEM-ZINC06567707

 MMsINC code: MMs03801687
Type: Neutral
Formula: C10H10N4O2
SMILES:   Oc1ccccc1\C=C/1\NC(=NC\1=O)NN
InChI:   InChI=1/C10H10N4O2/c11-14-10-12-7(9(16)13-10)5-6-3-1-2-4-8(6)15/h1-5,15H,11H2,(H2,12,13,14,16)/b7-5+

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Potential Energy
Epot(MMFF94)=82.819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.216 g/mol  logS: -2.29849  SlogP: -0.3178  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0343228  Sterimol/B1: 2.30763  Sterimol/B2: 2.54498  Sterimol/B3: 3.12738
  Sterimol/B4: 5.83685  Sterimol/L: 13.829 
 
 Surface and Volume Properties
  Accessible surface: 412.75  Positive charged surface: 265.696  Negative charged surface: 147.054  Volume: 195.875
  Hydrophobic surface: 179.122  Hydrophilic surface: 233.628
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.