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


NCID-ZINC01679738

 MMsINC code: MMs02314280
Type: Neutral
Formula: C6H14O4S4
SMILES:   S(SCCCCSS(=O)(=O)C)(=O)(=O)C
InChI:   InChI=1/C6H14O4S4/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/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)=22.1193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.438 g/mol  logS: -2.42402  SlogP: 1.1522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120482  Sterimol/B1: 2.51617  Sterimol/B2: 3.08308  Sterimol/B3: 4.0822
  Sterimol/B4: 5.343  Sterimol/L: 12.9078 
 
 Surface and Volume Properties
  Accessible surface: 454.312  Positive charged surface: 209.292  Negative charged surface: 245.02  Volume: 217.25
  Hydrophobic surface: 249.56  Hydrophilic surface: 204.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.