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


PUBCHEM-ZINC04096179

 MMsINC code: MMs03089769
Type: Neutral
Formula: C8H18O4S4
SMILES:   S(SCC(O)C(O)CS)CC(O)C(O)CS
InChI:   InChI=1/C8H18O4S4/c9-5(1-13)7(11)3-15-16-4-8(12)6(10)2-14/h5-14H,1-4H2/t5-,6+,7+,8-

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)=65.1358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.492 g/mol  logS: -2.85298  SlogP: -0.329  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0504101  Sterimol/B1: 3.2354  Sterimol/B2: 3.74668  Sterimol/B3: 3.77418
  Sterimol/B4: 4.14813  Sterimol/L: 17.2812 
 
 Surface and Volume Properties
  Accessible surface: 520.848  Positive charged surface: 300.859  Negative charged surface: 219.989  Volume: 259.625
  Hydrophobic surface: 220.319  Hydrophilic surface: 300.529
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.