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


PUBCHEM-ZINC05019219

 MMsINC code: MMs03189979
Type: Neutral
Formula: C17H24O10
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OCC=C
InChI:   InChI=1/C17H24O10/c1-6-7-22-17-16(26-12(5)21)15(25-11(4)20)14(24-10(3)19)13(27-17)8-23-9(2)18/h6,13-17H,1,7-8H2,2-5H3/t13-,14+,15+,16+,17-/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)=68.4657 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.369 g/mol  logS: -2.06374  SlogP: 0.2721  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.309717  Sterimol/B1: 3.49773  Sterimol/B2: 4.11748  Sterimol/B3: 5.41031
  Sterimol/B4: 9.791  Sterimol/L: 15.1391 
 
 Surface and Volume Properties
  Accessible surface: 672.17  Positive charged surface: 417.721  Negative charged surface: 254.449  Volume: 351.125
  Hydrophobic surface: 474.056  Hydrophilic surface: 198.114
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.