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


NCID-ZINC04897051

 MMsINC code: MMs02414075
Type: Neutral
Formula: C8H16O10S3
SMILES:   S(OC1C(O)C(O)C(OC1OC)CSS(O)(=O)=O)(=O)(=O)C
InChI:   InChI=1/C8H16O10S3/c1-16-8-7(18-20(2,11)12)6(10)5(9)4(17-8)3-19-21(13,14)15/h4-10H,3H2,1-2H3,(H,13,14,15)/t4-,5+,6+,7+,8-/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)=71.0985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.404 g/mol  logS: -0.99039  SlogP: -2.6054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152644  Sterimol/B1: 2.35486  Sterimol/B2: 3.66023  Sterimol/B3: 3.8479
  Sterimol/B4: 7.9455  Sterimol/L: 14.711 
 
 Surface and Volume Properties
  Accessible surface: 509.314  Positive charged surface: 295.083  Negative charged surface: 214.231  Volume: 260.5
  Hydrophobic surface: 223.977  Hydrophilic surface: 285.337
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs02414076
NCID-ZINC04897051