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


NCID-ZINC05369241

 MMsINC code: MMs02455370
Type: Neutral
Formula: C17H32O10
SMILES:   O1C(CO)C(O)C2OCCOCCOCCOCCOCCOC2C1OC
InChI:   InChI=1/C17H32O10/c1-20-17-16-15(14(19)13(12-18)27-17)25-10-8-23-6-4-21-2-3-22-5-7-24-9-11-26-16/h13-19H,2-12H2,1H3/t13-,14+,15+,16+,17-/m0/s1

Download   format file 
Drug Similarity  |  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)=162.528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.433 g/mol  logS: -0.50499  SlogP: -1.4387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105982  Sterimol/B1: 2.40378  Sterimol/B2: 3.53564  Sterimol/B3: 5.92552
  Sterimol/B4: 8.25143  Sterimol/L: 16.5168 
 
 Surface and Volume Properties
  Accessible surface: 654.909  Positive charged surface: 606.786  Negative charged surface: 48.123  Volume: 369.5
  Hydrophobic surface: 553.349  Hydrophilic surface: 101.56
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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: no related molecules available.