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


PUBCHEM-ZINC05836916

 MMsINC code: MMs03408510
Type: Neutral
Formula: C8H18S2
SMILES:   S(CCCCSC)CCC
InChI:   InChI=1/C8H18S2/c1-3-6-10-8-5-4-7-9-2/h3-8H2,1-2H3

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)=10.0951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.364 g/mol  logS: -2.50682  SlogP: 3.2728  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0263571  Sterimol/B1: 2.37487  Sterimol/B2: 2.37608  Sterimol/B3: 3.01202
  Sterimol/B4: 3.26434  Sterimol/L: 16.7494 
 
 Surface and Volume Properties
  Accessible surface: 439.581  Positive charged surface: 307.303  Negative charged surface: 132.279  Volume: 196.5
  Hydrophobic surface: 345.397  Hydrophilic surface: 94.184
 
 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.