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


SIAL-ZINC04566172

 MMsINC code: MMs03923292
Type: Neutral
Formula: C14H28O8
SMILES:   O1CCOCCOCCOCCOCCOC(CO)C1CO
InChI:   InChI=1/C14H28O8/c15-11-13-14(12-16)22-10-8-20-6-4-18-2-1-17-3-5-19-7-9-21-13/h13-16H,1-12H2/t13-,14-/m1/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)=137.977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.37 g/mol  logS: -0.19014  SlogP: -1.1786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0680404  Sterimol/B1: 2.65354  Sterimol/B2: 3.30574  Sterimol/B3: 5.21944
  Sterimol/B4: 6.76276  Sterimol/L: 13.381 
 
 Surface and Volume Properties
  Accessible surface: 583.42  Positive charged surface: 540.233  Negative charged surface: 43.1869  Volume: 310.125
  Hydrophobic surface: 473.793  Hydrophilic surface: 109.627
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.