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PUBCHEM-ZINC06472405

 MMsINC code: MMs03752918
Type: Neutral
Formula: C6H4N3O2-
SMILES:   O=[N+]([O-])c1ccc(N=[N-])cc1
InChI:   InChI=1/C6H4N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4H/q-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.8568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.117 g/mol  logS: -2.37443  SlogP: 2.2479  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.54801e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09889  Sterimol/B3: 2.4749
  Sterimol/B4: 5.01741  Sterimol/L: 10.391 
 
 Surface and Volume Properties
  Accessible surface: 306.814  Positive charged surface: 91.4296  Negative charged surface: 215.384  Volume: 124.625
  Hydrophobic surface: 153.68  Hydrophilic surface: 153.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 1  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.