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


PUBCHEM-ZINC03076628

 MMsINC code: MMs02990329
Type: Neutral
Formula: C10H10O2S2
SMILES:   S(C=1CCS(=O)(=O)C=1)c1ccccc1
InChI:   InChI=1/C10H10O2S2/c11-14(12)7-6-10(8-14)13-9-4-2-1-3-5-9/h1-5,8H,6-7H2

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)=29.6287 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.32 g/mol  logS: -2.88633  SlogP: 2.4386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149195  Sterimol/B1: 3.38169  Sterimol/B2: 3.83492  Sterimol/B3: 4.18743
  Sterimol/B4: 4.19321  Sterimol/L: 12.204 
 
 Surface and Volume Properties
  Accessible surface: 405.661  Positive charged surface: 194.425  Negative charged surface: 211.237  Volume: 196.25
  Hydrophobic surface: 292.373  Hydrophilic surface: 113.288
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.