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


PUBCHEM-ZINC05134422

 MMsINC code: MMs03209383
Type: Neutral
Formula: C6H10OS
SMILES:   SC1CC(=O)CCC1
InChI:   InChI=1/C6H10OS/c7-5-2-1-3-6(8)4-5/h6,8H,1-4H2/t6-/m0/s1

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)=9.90399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.211 g/mol  logS: -1.22657  SlogP: 1.4279  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.208709  Sterimol/B1: 2.5742  Sterimol/B2: 2.8889  Sterimol/B3: 3.13505
  Sterimol/B4: 5.14665  Sterimol/L: 9.057 
 
 Surface and Volume Properties
  Accessible surface: 298.737  Positive charged surface: 182.989  Negative charged surface: 115.748  Volume: 127.625
  Hydrophobic surface: 203.172  Hydrophilic surface: 95.565
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.