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


PUBCHEM-ZINC05138818

 MMsINC code: MMs03210825
Type: Neutral
Formula: C3H8OS2
SMILES:   SC(C(S)O)C
InChI:   InChI=1/C3H8OS2/c1-2(5)3(4)6/h2-6H,1H3/t2-,3+/m1/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)=17.8906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.228 g/mol  logS: -1.57286  SlogP: 0.5529  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.277722  Sterimol/B1: 2.14102  Sterimol/B2: 3.01791  Sterimol/B3: 3.32958
  Sterimol/B4: 4.73607  Sterimol/L: 8.73141 
 
 Surface and Volume Properties
  Accessible surface: 277.363  Positive charged surface: 144.719  Negative charged surface: 132.644  Volume: 110.875
  Hydrophobic surface: 125.396  Hydrophilic surface: 151.967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.