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


PUBCHEM-ZINC04831491

 MMsINC code: MMs03177219
Type: Neutral
Formula: C11H24O5S2
SMILES:   S(C(SCC)C(OC)C(O)C(O)C(O)CO)CC
InChI:   InChI=1/C11H24O5S2/c1-4-17-11(18-5-2)10(16-3)9(15)8(14)7(13)6-12/h7-15H,4-6H2,1-3H3/t7-,8-,9+,10+/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)=110.798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.44 g/mol  logS: -1.44193  SlogP: -0.0913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113286  Sterimol/B1: 2.16522  Sterimol/B2: 3.11538  Sterimol/B3: 3.72612
  Sterimol/B4: 8.66136  Sterimol/L: 14.3688 
 
 Surface and Volume Properties
  Accessible surface: 528.651  Positive charged surface: 389.689  Negative charged surface: 138.962  Volume: 278.625
  Hydrophobic surface: 307.667  Hydrophilic surface: 220.984
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.