logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC01718254

 MMsINC code: MMs02343633
Type: Tautomer
Formula: C14H34N2+2
SMILES:   [NH+](CCCCCCCC[NH3+])(CCC)CCC
InChI:   InChI=1/C14H32N2/c1-3-12-16(13-4-2)14-10-8-6-5-7-9-11-15/h3-15H2,1-2H3/p+2

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=9.69544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.44 g/mol  logS: -2.02649  SlogP: 1.2738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0347889  Sterimol/B1: 2.09487  Sterimol/B2: 2.97089  Sterimol/B3: 3.43697
  Sterimol/B4: 8.94742  Sterimol/L: 18.0834 
 
 Surface and Volume Properties
  Accessible surface: 594.846  Positive charged surface: 521.261  Negative charged surface: 73.5852  Volume: 293.125
  Hydrophobic surface: 459.096  Hydrophilic surface: 135.75
 
 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
  search links for this molecule:  
   
Parent related molecule:


MMs02343632
NCID-ZINC01718254