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


PUBCHEM-ZINC04760136

 MMsINC code: MMs03166943
Type: Neutral
Formula: C17H38N+
SMILES:   [N+](CCCCC)(CCCC)(CCCC)CCCC
InChI:   InChI=1/C17H38N/c1-5-9-13-17-18(14-10-6-2,15-11-7-3)16-12-8-4/h5-17H2,1-4H3/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)=62.18 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.498 g/mol  logS: -4.05007  SlogP: 5.3937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11  Sterimol/B1: 2.58801  Sterimol/B2: 3.55421  Sterimol/B3: 7.32121
  Sterimol/B4: 7.32345  Sterimol/L: 15.8602 
 
 Surface and Volume Properties
  Accessible surface: 597.235  Positive charged surface: 469.246  Negative charged surface: 127.989  Volume: 324.625
  Hydrophobic surface: 488.582  Hydrophilic surface: 108.653
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.