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


NCID-ZINC05063474

 MMsINC code: MMs02435158
Type: Neutral
Formula: C18H28O10S2
SMILES:   S(C(SC)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)COC(=O)C)C
InChI:   InChI=1/C18H28O10S2/c1-9(19)24-8-14(25-10(2)20)15(26-11(3)21)16(27-12(4)22)17(28-13(5)23)18(29-6)30-7/h14-18H,8H2,1-7H3/t14-,15+,16+,17+/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)=86.0639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.544 g/mol  logS: -3.53268  SlogP: 1.3284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.444776  Sterimol/B1: 4.09813  Sterimol/B2: 5.11749  Sterimol/B3: 6.2962
  Sterimol/B4: 8.38978  Sterimol/L: 16.2296 
 
 Surface and Volume Properties
  Accessible surface: 713.949  Positive charged surface: 415.022  Negative charged surface: 298.927  Volume: 414.625
  Hydrophobic surface: 551.018  Hydrophilic surface: 162.931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.