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


NCID-ZINC01760945

 MMsINC code: MMs02367227
Type: Neutral
Formula: C12H10O4S2
SMILES:   S(S(=O)(=O)c1ccccc1)(=O)(=O)c1ccccc1
InChI:   InChI=1/C12H10O4S2/c13-17(14,11-7-3-1-4-8-11)18(15,16)12-9-5-2-6-10-12/h1-10H

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)=88.0958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.34 g/mol  logS: -3.57252  SlogP: 1.8492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0361266  Sterimol/B1: 3.10105  Sterimol/B2: 3.52471  Sterimol/B3: 3.61732
  Sterimol/B4: 3.61795  Sterimol/L: 14.9128 
 
 Surface and Volume Properties
  Accessible surface: 454.949  Positive charged surface: 188.139  Negative charged surface: 266.81  Volume: 233.125
  Hydrophobic surface: 355.655  Hydrophilic surface: 99.294
 
 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.