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


PUBCHEM-ZINC06158857

 MMsINC code: MMs03569943
Type: Neutral
Formula: C17H24O9S
SMILES:   S(CC=C)C1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C17H24O9S/c1-6-7-27-17-16(25-12(5)21)15(24-11(4)20)14(23-10(3)19)13(26-17)8-22-9(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)=76.4425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.436 g/mol  logS: -2.91298  SlogP: 0.9887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.294875  Sterimol/B1: 2.78143  Sterimol/B2: 4.09623  Sterimol/B3: 5.50817
  Sterimol/B4: 10.28  Sterimol/L: 14.4293 
 
 Surface and Volume Properties
  Accessible surface: 680.978  Positive charged surface: 412.078  Negative charged surface: 268.9  Volume: 361.875
  Hydrophobic surface: 478.951  Hydrophilic surface: 202.027
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.