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


CHEMSTAR-ZINC03163232

 MMsINC code: MMs01085132
Type: Neutral
Formula: C4H10O5S3
SMILES:   S(=O)(=O)(CCSS(O)(=O)=O)CC
InChI:   InChI=1/C4H10O5S3/c1-2-11(5,6)4-3-10-12(7,8)9/h2-4H2,1H3,(H,7,8,9)

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)=-15.5244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.317 g/mol  logS: -1.15327  SlogP: -0.6086  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0987084  Sterimol/B1: 2.72315  Sterimol/B2: 3.24193  Sterimol/B3: 3.34224
  Sterimol/B4: 4.45783  Sterimol/L: 12.3189 
 
 Surface and Volume Properties
  Accessible surface: 383.291  Positive charged surface: 172.387  Negative charged surface: 210.904  Volume: 170.25
  Hydrophobic surface: 143.837  Hydrophilic surface: 239.454
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs01085133
CHEMSTAR-ZINC03163232