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NCID-ZINC05464544

 MMsINC code: MMs02464746
Type: Neutral
Formula: C7H4N4
SMILES:   [N+](=[N-])=C1N=Nc2c1cccc2
InChI:   InChI=1/C7H4N4/c8-9-7-5-3-1-2-4-6(5)10-11-7/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.0763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.137 g/mol  logS: -2.185  SlogP: 1.7603  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.13402e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09902  Sterimol/B3: 2.42821
  Sterimol/B4: 5.32915  Sterimol/L: 10.5358 
 
 Surface and Volume Properties
  Accessible surface: 308.481  Positive charged surface: 117.156  Negative charged surface: 191.324  Volume: 129.25
  Hydrophobic surface: 215.047  Hydrophilic surface: 93.434
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.