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


NCID-ZINC05395385

 MMsINC code: MMs02458629
Type: Neutral
Formula: C12H22O10S
SMILES:   SC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChI:   InChI=1/C12H22O10S/c13-1-3-5(15)6(16)8(18)11(20-3)22-10-4(2-14)21-12(23)9(19)7(10)17/h3-19,23H,1-2H2/t3-,4+,5-,6+,7+,8+,9-,10-,11+,12-/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)=139.203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.364 g/mol  logS: 0.35172  SlogP: -4.4597  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.22795  Sterimol/B1: 2.99326  Sterimol/B2: 3.93123  Sterimol/B3: 4.68013
  Sterimol/B4: 6.57991  Sterimol/L: 14.0928 
 
 Surface and Volume Properties
  Accessible surface: 550.974  Positive charged surface: 404.28  Negative charged surface: 146.694  Volume: 291.25
  Hydrophobic surface: 212.153  Hydrophilic surface: 338.821
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.