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


PUBCHEM-ZINC05883464

 MMsINC code: MMs03427430
Type: Neutral
Formula: C6H10OS2
SMILES:   S1CC1CCSC(=O)C
InChI:   InChI=1/C6H10OS2/c1-5(7)8-3-2-6-4-9-6/h6H,2-4H2,1H3/t6-/m1/s1

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)=22.9456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.277 g/mol  logS: -2.31958  SlogP: 1.7716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0455668  Sterimol/B1: 2.36533  Sterimol/B2: 2.82224  Sterimol/B3: 3.4245
  Sterimol/B4: 3.71766  Sterimol/L: 12.3734 
 
 Surface and Volume Properties
  Accessible surface: 357.326  Positive charged surface: 185.502  Negative charged surface: 171.824  Volume: 151.5
  Hydrophobic surface: 226.952  Hydrophilic surface: 130.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.