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


NCID-ZINC05600186

 MMsINC code: MMs02478867
Type: Neutral
Formula: C10H20OS4
SMILES:   S1CC(O)CSCCSCCCSCC1
InChI:   InChI=1/C10H20OS4/c11-10-8-14-6-4-12-2-1-3-13-5-7-15-9-10/h10-11H,1-9H2

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)=77.7133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.533 g/mol  logS: -3.70613  SlogP: 2.6838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122254  Sterimol/B1: 2.3539  Sterimol/B2: 3.43247  Sterimol/B3: 5.36978
  Sterimol/B4: 5.85537  Sterimol/L: 11.8092 
 
 Surface and Volume Properties
  Accessible surface: 467.094  Positive charged surface: 315.463  Negative charged surface: 151.632  Volume: 264.375
  Hydrophobic surface: 293.638  Hydrophilic surface: 173.456
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.