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


PUBCHEM-ZINC06293256

 MMsINC code: MMs03660760
Type: Neutral
Formula: C6H8O8S
SMILES:   S(OC1COC(=CC1O)C(O)=O)(O)(=O)=O
InChI:   InChI=1/C6H8O8S/c7-3-1-4(6(8)9)13-2-5(3)14-15(10,11)12/h1,3,5,7H,2H2,(H,8,9)(H,10,11,12)/t3-,5-/m0/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)=7.25911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.188 g/mol  logS: -0.40002  SlogP: -2.0317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169499  Sterimol/B1: 2.23308  Sterimol/B2: 3.6116  Sterimol/B3: 4.69956
  Sterimol/B4: 4.93435  Sterimol/L: 11.6899 
 
 Surface and Volume Properties
  Accessible surface: 382.252  Positive charged surface: 208.723  Negative charged surface: 173.529  Volume: 166.375
  Hydrophobic surface: 87.4886  Hydrophilic surface: 294.7634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03660761
PUBCHEM-ZINC06293256