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


PUBCHEM-ZINC05112674

 MMsINC code: MMs03201097
Type: Neutral
Formula: C2H2O4S2-2
SMILES:   S(=O)([O-])\C=C\S(=O)[O-]
InChI:   InChI=1/C2H4O4S2/c3-7(4)1-2-8(5)6/h1-2H,(H,3,4)(H,5,6)/p-2/b2-1+

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)=27.4627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.166 g/mol  logS: -0.11296  SlogP: -0.7842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0405524  Sterimol/B1: 2.61206  Sterimol/B2: 2.66771  Sterimol/B3: 2.73386
  Sterimol/B4: 3.41557  Sterimol/L: 9.63562 
 
 Surface and Volume Properties
  Accessible surface: 276.182  Positive charged surface: 96.0328  Negative charged surface: 180.15  Volume: 98.5
  Hydrophobic surface: 123.667  Hydrophilic surface: 152.515
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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.