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PUBCHEM-ZINC06096803

 MMsINC code: MMs03542880
Type: Neutral
Formula: C6H6N2
SMILES:   N(=N)c1ccccc1
InChI:   InChI=1/C6H6N2/c7-8-6-4-2-1-3-5-6/h1-5,7H/b8-7+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.1613 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 106.128 g/mol  logS: -1.55981  SlogP: 2.34907  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.71766e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09876  Sterimol/B3: 3.51195
  Sterimol/B4: 4.21998  Sterimol/L: 9.65218 
 
 Surface and Volume Properties
  Accessible surface: 278.204  Positive charged surface: 139.638  Negative charged surface: 138.567  Volume: 107.5
  Hydrophobic surface: 222.026  Hydrophilic surface: 56.178
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.