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


PUBCHEM-ZINC01997317

 MMsINC code: MMs02840010
Type: Neutral
Formula: C14H35N3+2
SMILES:   [N+](CCCN(CCC[N+](C)(C)C)CC)(C)(C)C
InChI:   InChI=1/C14H35N3/c1-8-15(11-9-13-16(2,3)4)12-10-14-17(5,6)7/h8-14H2,1-7H3/q+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)=76.2408 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.455 g/mol  logS: 0.2458  SlogP: 1.5009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0817391  Sterimol/B1: 2.46123  Sterimol/B2: 2.87244  Sterimol/B3: 3.89615
  Sterimol/B4: 8.25613  Sterimol/L: 15.2213 
 
 Surface and Volume Properties
  Accessible surface: 551.238  Positive charged surface: 526.249  Negative charged surface: 24.989  Volume: 298.625
  Hydrophobic surface: 422.859  Hydrophilic surface: 128.379
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:  
   

Ions/Tautomers related molecules


MMs02840011
PUBCHEM-ZINC01997317