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


NCID-ZINC04428725

 MMsINC code: MMs02386994
Type: Neutral
Formula: C26H56N2+2
SMILES:   [NH+](CCCCCCCCCCC[NH+]1CCCCC1)(CCCCC)CCCCC
InChI:   InChI=1/C26H54N2/c1-3-5-15-21-27(22-16-6-4-2)23-17-12-10-8-7-9-11-13-18-24-28-25-19-14-20-26-28/h3-26H2,1-2H3/p+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)=14.7395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.748 g/mol  logS: -6.59371  SlogP: 4.8314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0148436  Sterimol/B1: 2.21231  Sterimol/B2: 3.01222  Sterimol/B3: 3.68868
  Sterimol/B4: 11.2256  Sterimol/L: 28.3692 
 
 Surface and Volume Properties
  Accessible surface: 914.813  Positive charged surface: 798.906  Negative charged surface: 115.907  Volume: 493.875
  Hydrophobic surface: 829.514  Hydrophilic surface: 85.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02386995
NCID-ZINC04428725