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


PUBCHEM-ZINC05850855

 MMsINC code: MMs03416658
Type: Neutral
Formula: C4H8O4S2
SMILES:   S1S(=O)(=O)CC(O)C(O)C1
InChI:   InChI=1/C4H8O4S2/c5-3-1-9-10(7,8)2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/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)=26.6126 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.236 g/mol  logS: -0.54927  SlogP: -1.2152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239321  Sterimol/B1: 3.03046  Sterimol/B2: 3.08025  Sterimol/B3: 3.16921
  Sterimol/B4: 5.58703  Sterimol/L: 9.26768 
 
 Surface and Volume Properties
  Accessible surface: 311.692  Positive charged surface: 157.799  Negative charged surface: 153.892  Volume: 135.25
  Hydrophobic surface: 102.412  Hydrophilic surface: 209.28
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.