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


PUBCHEM-ZINC05785259

 MMsINC code: MMs03385189
Type: Neutral
Formula: C4H11O2PS
SMILES:   SP(OCCC)(=O)C
InChI:   InChI=1/C4H11O2PS/c1-3-4-6-7(2,5)8/h3-4H2,1-2H3,(H,5,8)/t7-/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)=-4.80166 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.17 g/mol  logS: -0.98618  SlogP: 1.0955  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.08964  Sterimol/B1: 3.03317  Sterimol/B2: 3.2056  Sterimol/B3: 3.51614
  Sterimol/B4: 4.24528  Sterimol/L: 11.3425 
 
 Surface and Volume Properties
  Accessible surface: 348.427  Positive charged surface: 202.407  Negative charged surface: 146.02  Volume: 141.375
  Hydrophobic surface: 206.612  Hydrophilic surface: 141.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.