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


PUBCHEM-ZINC05438387

MMsINC code: MMs03269365

Type: Neutral
Formula: C5H8OS2
SMILES:   S1CC1CSC(=O)C
InChI:   InChI=1/C5H8OS2/c1-4(6)7-2-5-3-8-5/h5H,2-3H2,1H3/t5-/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)=20.6189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.25 g/mol  logS: -2.11781  SlogP: 1.3815  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0530138  Sterimol/B1: 2.51241  Sterimol/B2: 2.87694  Sterimol/B3: 3.39038
  Sterimol/B4: 3.70378  Sterimol/L: 11.1236 
 
 Surface and Volume Properties
  Accessible surface: 330.434  Positive charged surface: 159.943  Negative charged surface: 170.492  Volume: 135.125
  Hydrophobic surface: 199.2  Hydrophilic surface: 131.234
 
 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.