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PUBCHEM-ZINC03876128

 MMsINC code: MMs03083250
Type: Neutral
Formula: C6H5N2+
SMILES:   [N+](#N)c1ccccc1
InChI:   InChI=1/C6H5N2/c7-8-6-4-2-1-3-5-6/h1-5H/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.1989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 105.12 g/mol  logS: -1.4255  SlogP: 2.17118  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.58566e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.0988  Sterimol/B3: 3.6295
  Sterimol/B4: 3.63029  Sterimol/L: 9.66772 
 
 Surface and Volume Properties
  Accessible surface: 276.355  Positive charged surface: 117.058  Negative charged surface: 159.297  Volume: 107
  Hydrophobic surface: 209.909  Hydrophilic surface: 66.446
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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.