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


SIAL-ZINC04974164

 MMsINC code: MMs03926595
Type: Neutral
Formula: C13H27NO6
SMILES:   O1CCOCCOCCOCCOCCOCC1CN
InChI:   InChI=1/C13H27NO6/c14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13/h13H,1-12,14H2/t13-/m0/s1

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)=129.332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.36 g/mol  logS: -0.28658  SlogP: -0.5731  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138217  Sterimol/B1: 3.39185  Sterimol/B2: 4.07766  Sterimol/B3: 5.23299
  Sterimol/B4: 6.78589  Sterimol/L: 12.5779 
 
 Surface and Volume Properties
  Accessible surface: 546.788  Positive charged surface: 518.622  Negative charged surface: 28.1655  Volume: 289.875
  Hydrophobic surface: 465.092  Hydrophilic surface: 81.696
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03926596
SIAL-ZINC04974164