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


PUBCHEM-ZINC05700874

 MMsINC code: MMs03353188
Type: Neutral
Formula: C6H10O4S
SMILES:   S(CC(OC)=O)CC(OC)=O
InChI:   InChI=1/C6H10O4S/c1-9-5(7)3-11-4-6(8)10-2/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)=38.8694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.208 g/mol  logS: -1.39876  SlogP: 0.0656  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0214148  Sterimol/B1: 2.37527  Sterimol/B2: 2.37553  Sterimol/B3: 2.74994
  Sterimol/B4: 3.11674  Sterimol/L: 14.8886 
 
 Surface and Volume Properties
  Accessible surface: 387.814  Positive charged surface: 292.665  Negative charged surface: 95.1493  Volume: 156.75
  Hydrophobic surface: 265.331  Hydrophilic surface: 122.483
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.