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


PUBCHEM-ZINC02168408

 MMsINC code: MMs02879512
Type: Neutral
Formula: C4H10S4
SMILES:   S(SSSCC)CC
InChI:   InChI=1/C4H10S4/c1-3-5-7-8-6-4-2/h3-4H2,1-2H3

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)=-22.2721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.388 g/mol  logS: -4.54824  SlogP: 3.704  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0504392  Sterimol/B1: 2.18512  Sterimol/B2: 2.54771  Sterimol/B3: 3.35934
  Sterimol/B4: 3.93193  Sterimol/L: 12.7358 
 
 Surface and Volume Properties
  Accessible surface: 371.64  Positive charged surface: 194.574  Negative charged surface: 117.148  Volume: 164.125
  Hydrophobic surface: 254.493  Hydrophilic surface: 117.147
 
 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.