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


PUBCHEM-ZINC05352409

 MMsINC code: MMs03245845
Type: Neutral
Formula: C10H22S2
SMILES:   S(SCC(C)(C)C)CC(C)(C)C
InChI:   InChI=1/C10H22S2/c1-9(2,3)7-11-12-8-10(4,5)6/h7-8H2,1-6H3

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)=55.2931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.418 g/mol  logS: -3.55126  SlogP: 4.46  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.132171  Sterimol/B1: 2.33521  Sterimol/B2: 2.68096  Sterimol/B3: 4.24859
  Sterimol/B4: 4.59901  Sterimol/L: 12.6338 
 
 Surface and Volume Properties
  Accessible surface: 425.898  Positive charged surface: 292.829  Negative charged surface: 133.07  Volume: 223.125
  Hydrophobic surface: 292.829  Hydrophilic surface: 133.069
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.