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


NCID-ZINC05372169

 MMsINC code: MMs02456329
Type: Neutral
Formula: C8H16O7S
SMILES:   S(OC1C(O)C(O)C(OC1C)OC)(=O)(=O)C
InChI:   InChI=1/C8H16O7S/c1-4-7(15-16(3,11)12)5(9)6(10)8(13-2)14-4/h4-10H,1-3H3/t4-,5-,6+,7+,8-/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)=71.2989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.275 g/mol  logS: -0.19325  SlogP: -1.5558  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16282  Sterimol/B1: 2.17521  Sterimol/B2: 3.26823  Sterimol/B3: 4.37293
  Sterimol/B4: 6.90432  Sterimol/L: 12.6859 
 
 Surface and Volume Properties
  Accessible surface: 423.803  Positive charged surface: 305.953  Negative charged surface: 117.849  Volume: 208.375
  Hydrophobic surface: 263.462  Hydrophilic surface: 160.341
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  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.