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


NCID-ZINC05203140

 MMsINC code: MMs02448680
Type: Neutral
Formula: C10H16O5S2
SMILES:   S1CC2OC(OC)C(OC)C(OC)C2OC1=S
InChI:   InChI=1/C10H16O5S2/c1-11-7-6-5(4-17-10(16)15-6)14-9(13-3)8(7)12-2/h5-9H,4H2,1-3H3/t5-,6-,7+,8-,9+/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)=73.2146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.365 g/mol  logS: -3.0488  SlogP: 0.8046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.209755  Sterimol/B1: 2.58907  Sterimol/B2: 2.83135  Sterimol/B3: 4.28804
  Sterimol/B4: 8.02409  Sterimol/L: 12.5524 
 
 Surface and Volume Properties
  Accessible surface: 475.334  Positive charged surface: 329.904  Negative charged surface: 145.43  Volume: 241
  Hydrophobic surface: 319.353  Hydrophilic surface: 155.981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: no related molecules available.