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NCID-ZINC05063730

 MMsINC code: MMs02435330
Type: Neutral
Formula: C18H42N2+2
SMILES:   [N+](CCCCCC[N+](CC)(CC)CC)(CC)(CC)CC
InChI:   InChI=1/C18H42N2/c1-7-19(8-2,9-3)17-15-13-14-16-18-20(10-4,11-5)12-6/h7-18H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.548 g/mol  logS: -1.8959  SlogP: 4.2998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0457706  Sterimol/B1: 2.37461  Sterimol/B2: 3.06732  Sterimol/B3: 3.08059
  Sterimol/B4: 7.27259  Sterimol/L: 18.2066 
 
 Surface and Volume Properties
  Accessible surface: 590.768  Positive charged surface: 461.281  Negative charged surface: 129.488  Volume: 350.625
  Hydrophobic surface: 431.054  Hydrophilic surface: 159.714
 
 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.