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NCID-ZINC01730255

 MMsINC code: MMs02353227
Type: Neutral
Formula: C14H34N2+2
SMILES:   [N+](CCCCCCCC[N+](C)(C)C)(C)(C)C
InChI:   InChI=1/C14H34N2/c1-15(2,3)13-11-9-7-8-10-12-14-16(4,5)6/h7-14H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.8119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.44 g/mol  logS: -0.96308  SlogP: 2.7394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.043559  Sterimol/B1: 2.25727  Sterimol/B2: 2.37515  Sterimol/B3: 3.89736
  Sterimol/B4: 4.774  Sterimol/L: 18.2753 
 
 Surface and Volume Properties
  Accessible surface: 550.984  Positive charged surface: 531.822  Negative charged surface: 19.1621  Volume: 285.375
  Hydrophobic surface: 437.268  Hydrophilic surface: 113.716
 
 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.