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


PUBCHEM-ZINC04208866

 MMsINC code: MMs03100058
Type: Neutral
Formula: C16H34OS
SMILES:   SCCCCCCCCCCCCCCCCO
InChI:   InChI=1/C16H34OS/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2

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)=4.92577 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.513 g/mol  logS: -6.33574  SlogP: 5.3699  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0121257  Sterimol/B1: 2.18703  Sterimol/B2: 2.37506  Sterimol/B3: 2.37599
  Sterimol/B4: 3.34394  Sterimol/L: 25.8383 
 
 Surface and Volume Properties
  Accessible surface: 656.48  Positive charged surface: 527.701  Negative charged surface: 128.78  Volume: 325.875
  Hydrophobic surface: 547.523  Hydrophilic surface: 108.957
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.