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


PUBCHEM-ZINC06360533

 MMsINC code: MMs03686236
Type: Neutral
Formula: C4H10O3S2
SMILES:   S(O)CC(O)C(O)CS
InChI:   InChI=1/C4H10O3S2/c5-3(1-8)4(6)2-9-7/h3-8H,1-2H2/t3-,4+/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)=47.9953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.253 g/mol  logS: -1.07518  SlogP: -0.7215  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.101895  Sterimol/B1: 2.62239  Sterimol/B2: 2.6529  Sterimol/B3: 3.16889
  Sterimol/B4: 4.00075  Sterimol/L: 11.3605 
 
 Surface and Volume Properties
  Accessible surface: 338.426  Positive charged surface: 197.975  Negative charged surface: 140.451  Volume: 141
  Hydrophobic surface: 122.701  Hydrophilic surface: 215.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.