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


PUBCHEM-ZINC03790051

 MMsINC code: MMs03076240
Type: Neutral
Formula: C18H42N4
SMILES:   N(CCCCCCCCNCCCNCC)CCCNCC
InChI:   InChI=1/C18H42N4/c1-3-19-15-11-17-21-13-9-7-5-6-8-10-14-22-18-12-16-20-4-2/h19-22H,3-18H2,1-2H3

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)=-17.403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.562 g/mol  logS: -1.55378  SlogP: 2.5054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00731273  Sterimol/B1: 2.24294  Sterimol/B2: 2.4604  Sterimol/B3: 2.78193
  Sterimol/B4: 3.29306  Sterimol/L: 30.6365 
 
 Surface and Volume Properties
  Accessible surface: 779.79  Positive charged surface: 683.784  Negative charged surface: 96.0056  Volume: 386.875
  Hydrophobic surface: 656.015  Hydrophilic surface: 123.775
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  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


MMs03076241
PUBCHEM-ZINC03790051