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


NCID-ZINC04769167

 MMsINC code: MMs02401896
Type: Neutral
Formula: C2H7O2PS
SMILES:   SP(O)(=O)CC
InChI:   InChI=1/C2H7O2PS/c1-2-5(3,4)6/h2H2,1H3,(H2,3,4,6)

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)=-12.0118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.116 g/mol  logS: -0.43923  SlogP: 0.0513  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202713  Sterimol/B1: 3.17685  Sterimol/B2: 3.24643  Sterimol/B3: 3.28979
  Sterimol/B4: 3.43575  Sterimol/L: 9.15139 
 
 Surface and Volume Properties
  Accessible surface: 276.797  Positive charged surface: 141.423  Negative charged surface: 135.374  Volume: 102.125
  Hydrophobic surface: 120.867  Hydrophilic surface: 155.93
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.