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


NCID-ZINC04403419

 MMsINC code: MMs02384749
Type: Ionized
Formula: C18H40NO+
SMILES:   OCCCCCCCCCC[NH+](CCCC)CCCC
InChI:   InChI=1/C18H39NO/c1-3-5-15-19(16-6-4-2)17-13-11-9-7-8-10-12-14-18-20/h20H,3-18H2,1-2H3/p+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)=8.47169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.524 g/mol  logS: -4.21786  SlogP: 3.5846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0337287  Sterimol/B1: 2.17482  Sterimol/B2: 2.51234  Sterimol/B3: 4.55132
  Sterimol/B4: 11.0004  Sterimol/L: 20.3469 
 
 Surface and Volume Properties
  Accessible surface: 698.381  Positive charged surface: 592.036  Negative charged surface: 106.345  Volume: 355
  Hydrophobic surface: 593.396  Hydrophilic surface: 104.985
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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:  
   
Parent related molecule:


MMs02384748
NCID-ZINC04403419