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PUBCHEM-ZINC03961365

 MMsINC code: MMs03085957
Type: Neutral
Formula: C18H42N2+2
SMILES:   [N+](CCCCCCCCCCCC[N+](C)(C)C)(C)(C)C
InChI:   InChI=1/C18H42N2/c1-19(2,3)17-15-13-11-9-7-8-10-12-14-16-18-20(4,5)6/h7-18H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.0287 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.548 g/mol  logS: -3.02396  SlogP: 4.2998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0220846  Sterimol/B1: 2.16852  Sterimol/B2: 2.37491  Sterimol/B3: 3.86812
  Sterimol/B4: 4.77422  Sterimol/L: 23.2829 
 
 Surface and Volume Properties
  Accessible surface: 673.174  Positive charged surface: 638.253  Negative charged surface: 34.9211  Volume: 359.25
  Hydrophobic surface: 559.457  Hydrophilic surface: 113.717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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.