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PUBCHEM-ZINC05604452

 MMsINC code: MMs03322035
Type: Neutral
Formula: C14H10N4O2
SMILES:   o1nc(-c2ccccc2)c(n1)N=Nc1ccc(O)cc1
InChI:   InChI=1/C14H10N4O2/c19-12-8-6-11(7-9-12)15-16-14-13(17-20-18-14)10-4-2-1-3-5-10/h1-9,19H/b16-15+

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Potential Energy
Epot(MMFF94)=66.3898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.26 g/mol  logS: -4.26134  SlogP: 3.8576  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0228493  Sterimol/B1: 2.48797  Sterimol/B2: 2.75234  Sterimol/B3: 2.80067
  Sterimol/B4: 7.88598  Sterimol/L: 14.32 
 
 Surface and Volume Properties
  Accessible surface: 486.416  Positive charged surface: 254.97  Negative charged surface: 231.446  Volume: 244.5
  Hydrophobic surface: 336.795  Hydrophilic surface: 149.621
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.