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


PUBCHEM-ZINC06068421

 MMsINC code: MMs03521311
Type: Neutral
Formula: C6H14O4S3
SMILES:   S(=O)(=O)(CCS(=O)C)CCS(=O)C
InChI:   InChI=1/C6H14O4S3/c1-11(7)3-5-13(9,10)6-4-12(2)8/h3-6H2,1-2H3/t11-,12-/m1/s1

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)=6.00527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.372 g/mol  logS: -0.22301  SlogP: -0.8418  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0385936  Sterimol/B1: 2.89004  Sterimol/B2: 2.89952  Sterimol/B3: 3.18126
  Sterimol/B4: 3.62235  Sterimol/L: 15.9085 
 
 Surface and Volume Properties
  Accessible surface: 444.964  Positive charged surface: 265.128  Negative charged surface: 179.836  Volume: 201.5
  Hydrophobic surface: 318.967  Hydrophilic surface: 125.997
 
 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.