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


PUBCHEM-ZINC02905448

 MMsINC code: MMs02957100
Type: Ionized
Formula: C5H6O8S2-2
SMILES:   S(=O)(=O)(CC(=O)[O-])CS(=O)(=O)CC(=O)[O-]
InChI:   InChI=1/C5H8O8S2/c6-4(7)1-14(10,11)3-15(12,13)2-5(8)9/h1-3H2,(H,6,7)(H,8,9)/p-2

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)=-34.9691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.227 g/mol  logS: -0.03096  SlogP: -4.7267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133504  Sterimol/B1: 2.88371  Sterimol/B2: 3.02922  Sterimol/B3: 3.66005
  Sterimol/B4: 3.87267  Sterimol/L: 12.7259 
 
 Surface and Volume Properties
  Accessible surface: 378.738  Positive charged surface: 118.074  Negative charged surface: 260.664  Volume: 170.125
  Hydrophobic surface: 90.5254  Hydrophilic surface: 288.2126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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:  
   
Parent related molecule:


MMs02957099
PUBCHEM-ZINC02905448