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


PUBCHEM-ZINC05357336

 MMsINC code: MMs03247455
Type: Neutral
Formula: C5H12O4S2
SMILES:   S(=O)(=O)(C(S(=O)(=O)C)(C)C)C
InChI:   InChI=1/C5H12O4S2/c1-5(2,10(3,6)7)11(4,8)9/h1-4H3

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)=10.6092 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.279 g/mol  logS: -0.52326  SlogP: -0.1883  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.304055  Sterimol/B1: 2.13188  Sterimol/B2: 2.35859  Sterimol/B3: 4.69841
  Sterimol/B4: 4.83256  Sterimol/L: 10.5092 
 
 Surface and Volume Properties
  Accessible surface: 336.5  Positive charged surface: 154.159  Negative charged surface: 182.342  Volume: 159.25
  Hydrophobic surface: 190.575  Hydrophilic surface: 145.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.