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


NCID-ZINC01605343

 MMsINC code: MMs02257566
Type: Neutral
Formula: C6H10S
SMILES:   S(CC)C#CCC
InChI:   InChI=1/C6H10S/c1-3-5-6-7-4-2/h3-4H2,1-2H3

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)=1.33658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.212 g/mol  logS: -2.41641  SlogP: 2.11041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0361936  Sterimol/B1: 2.37544  Sterimol/B2: 2.37585  Sterimol/B3: 2.88589
  Sterimol/B4: 3.21091  Sterimol/L: 12.269 
 
 Surface and Volume Properties
  Accessible surface: 334.376  Positive charged surface: 234.253  Negative charged surface: 100.123  Volume: 133
  Hydrophobic surface: 234.253  Hydrophilic surface: 100.123
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.