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


NCID-ZINC01605890

 MMsINC code: MMs02258019
Type: Neutral
Formula: C3H6O4S
SMILES:   S(OC(=O)C)(=O)(=O)C
InChI:   InChI=1/C3H6O4S/c1-3(4)7-8(2,5)6/h1-2H3

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)=2.78118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.143 g/mol  logS: -0.22916  SlogP: -0.4909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141967  Sterimol/B1: 2.57222  Sterimol/B2: 2.79047  Sterimol/B3: 3.39897
  Sterimol/B4: 3.78796  Sterimol/L: 9.1509 
 
 Surface and Volume Properties
  Accessible surface: 286.293  Positive charged surface: 135.359  Negative charged surface: 150.934  Volume: 105.625
  Hydrophobic surface: 169.683  Hydrophilic surface: 116.61
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.