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


SIAL-ZINC04530592

 MMsINC code: MMs03917607
Type: Neutral
Formula: C4H10O2S2
SMILES:   S(S)(=O)(=O)CC(C)C
InChI:   InChI=1/C4H10O2S2/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)

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)=7.95834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.254 g/mol  logS: -1.53284  SlogP: 0.902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146532  Sterimol/B1: 2.05071  Sterimol/B2: 2.68187  Sterimol/B3: 3.64442
  Sterimol/B4: 4.73354  Sterimol/L: 10.2731 
 
 Surface and Volume Properties
  Accessible surface: 318.845  Positive charged surface: 161.282  Negative charged surface: 157.564  Volume: 132.875
  Hydrophobic surface: 163.586  Hydrophilic surface: 155.259
 
 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.