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


PUBCHEM-ZINC02168409

 MMsINC code: MMs02879513
Type: Neutral
Formula: C6H14S3
SMILES:   S(SSCCC)CCC
InChI:   InChI=1/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3

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)=-14.7478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.376 g/mol  logS: -3.84798  SlogP: 3.836  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0444407  Sterimol/B1: 2.42962  Sterimol/B2: 3.01436  Sterimol/B3: 3.49392
  Sterimol/B4: 3.7173  Sterimol/L: 13.6683 
 
 Surface and Volume Properties
  Accessible surface: 401.897  Positive charged surface: 245.334  Negative charged surface: 130.299  Volume: 178.25
  Hydrophobic surface: 282.534  Hydrophilic surface: 119.363
 
 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.