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


NCID-ZINC05273970

 MMsINC code: MMs02450754
Type: Neutral
Formula: C12H22O10S
SMILES:   S(C1OC(CO)C(O)C(O)C1O)C1OC(CO)C(O)C(O)C1O
InChI:   InChI=1/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,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)=135.742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.364 g/mol  logS: 0.69348  SlogP: -4.6806  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0776564  Sterimol/B1: 2.91845  Sterimol/B2: 3.16624  Sterimol/B3: 3.45176
  Sterimol/B4: 6.77486  Sterimol/L: 14.0692 
 
 Surface and Volume Properties
  Accessible surface: 522.14  Positive charged surface: 415.554  Negative charged surface: 106.586  Volume: 291.25
  Hydrophobic surface: 219.467  Hydrophilic surface: 302.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  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.