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


PUBCHEM-ZINC05921869

 MMsINC code: MMs03444209
Type: Neutral
Formula: C3H8S4
SMILES:   S(SSSC)CC
InChI:   InChI=1/C3H8S4/c1-3-5-7-6-4-2/h3H2,1-2H3

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)=-21.3742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.361 g/mol  logS: -4.22103  SlogP: 3.3139  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0415495  Sterimol/B1: 2.26736  Sterimol/B2: 3.07793  Sterimol/B3: 3.32245
  Sterimol/B4: 3.81164  Sterimol/L: 12.1112 
 
 Surface and Volume Properties
  Accessible surface: 345.949  Positive charged surface: 154.275  Negative charged surface: 125.357  Volume: 147.875
  Hydrophobic surface: 245.999  Hydrophilic surface: 99.95
 
 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.