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


NCID-ZINC05758305

 MMsINC code: MMs02494608
Type: Neutral
Formula: C4H10O2S
SMILES:   S(=O)(CCO)CC
InChI:   InChI=1/C4H10O2S/c1-2-7(6)4-3-5/h5H,2-4H2,1H3/t7-/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)=9.16891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.188 g/mol  logS: 0.02414  SlogP: -0.2527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0679955  Sterimol/B1: 2.53674  Sterimol/B2: 2.78608  Sterimol/B3: 3.11173
  Sterimol/B4: 3.19539  Sterimol/L: 11.0502 
 
 Surface and Volume Properties
  Accessible surface: 304.183  Positive charged surface: 229.441  Negative charged surface: 74.7428  Volume: 117.125
  Hydrophobic surface: 197.059  Hydrophilic surface: 107.124
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.