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


NCID-ZINC01640793

 MMsINC code: MMs02282860
Type: Neutral
Formula: C8H18OS
SMILES:   S(CCCCO)CCCC
InChI:   InChI=1/C8H18OS/c1-2-3-7-10-8-5-4-6-9/h9H,2-8H2,1H3

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)=6.42408 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.297 g/mol  logS: -1.82762  SlogP: 2.2922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0289016  Sterimol/B1: 2.37506  Sterimol/B2: 2.37585  Sterimol/B3: 2.67069
  Sterimol/B4: 2.91812  Sterimol/L: 16.0416 
 
 Surface and Volume Properties
  Accessible surface: 419.484  Positive charged surface: 325.551  Negative charged surface: 93.9331  Volume: 183.375
  Hydrophobic surface: 309.185  Hydrophilic surface: 110.299
 
 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.