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NCID-ZINC04748485

 MMsINC code: MMs02400398
Type: Neutral
Formula: C6H11N3
SMILES:   [N+](=NC1CCCCC1)=[N-]
InChI:   InChI=1/C6H11N3/c7-9-8-6-4-2-1-3-5-6/h6H,1-5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.0278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 125.175 g/mol  logS: -1.2278  SlogP: 2.6294  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.183418  Sterimol/B1: 2.66894  Sterimol/B2: 3.08795  Sterimol/B3: 3.47579
  Sterimol/B4: 4.29879  Sterimol/L: 10.3387 
 
 Surface and Volume Properties
  Accessible surface: 307.034  Positive charged surface: 193.708  Negative charged surface: 113.326  Volume: 128.625
  Hydrophobic surface: 222.134  Hydrophilic surface: 84.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.