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


PUBCHEM-ZINC05820618

 MMsINC code: MMs03399587
Type: Neutral
Formula: C14H32N+
SMILES:   [N+](CCCCCC)(CCCCCC)(C)C
InChI:   InChI=1/C14H32N/c1-5-7-9-11-13-15(3,4)14-12-10-8-6-2/h5-14H2,1-4H3/q+1

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)=40.3883 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.417 g/mol  logS: -3.50733  SlogP: 4.2234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0371715  Sterimol/B1: 2.92782  Sterimol/B2: 2.99815  Sterimol/B3: 3.57408
  Sterimol/B4: 3.57525  Sterimol/L: 19.6408 
 
 Surface and Volume Properties
  Accessible surface: 535.469  Positive charged surface: 462.162  Negative charged surface: 73.3078  Volume: 268.375
  Hydrophobic surface: 451.423  Hydrophilic surface: 84.046
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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: no related molecules available.