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NCID-ZINC04984158

 MMsINC code: MMs02424163
Type: Neutral
Formula: C10H20N6
SMILES:   [N+](=NCCCCCCCCCCN=[N+]=[N-])=[N-]
InChI:   InChI=1/C10H20N6/c11-15-13-9-7-5-3-1-2-4-6-8-10-14-16-12/h1-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.8553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.312 g/mol  logS: -2.79074  SlogP: 4.7278  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0304209  Sterimol/B1: 2.12339  Sterimol/B2: 2.3758  Sterimol/B3: 3.00569
  Sterimol/B4: 3.63096  Sterimol/L: 20.4833 
 
 Surface and Volume Properties
  Accessible surface: 522.234  Positive charged surface: 327.394  Negative charged surface: 194.84  Volume: 235.625
  Hydrophobic surface: 332.929  Hydrophilic surface: 189.305
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.