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


PUBCHEM-ZINC06761087

 MMsINC code: MMs03854387
Type: Neutral
Formula: C6H10O8S
SMILES:   S(OC1COC(CC1O)C(O)=O)(O)(=O)=O
InChI:   InChI=1/C6H10O8S/c7-3-1-4(6(8)9)13-2-5(3)14-15(10,11)12/h3-5,7H,1-2H2,(H,8,9)(H,10,11,12)/t3-,4+,5+/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)=19.4701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.204 g/mol  logS: -0.1522  SlogP: -2.1569  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137063  Sterimol/B1: 2.50011  Sterimol/B2: 3.07832  Sterimol/B3: 3.9984
  Sterimol/B4: 4.48487  Sterimol/L: 12.7047 
 
 Surface and Volume Properties
  Accessible surface: 388.978  Positive charged surface: 218.754  Negative charged surface: 170.224  Volume: 170.75
  Hydrophobic surface: 109.792  Hydrophilic surface: 279.186
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03854388
PUBCHEM-ZINC06761087