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


PUBCHEM-ZINC03643340

 MMsINC code: MMs03032180
Type: Neutral
Formula: C4H11O2PS
SMILES:   S(P(OC)(=O)CC)C
InChI:   InChI=1/C4H11O2PS/c1-4-7(5,6-2)8-3/h4H2,1-3H3/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)=-6.41828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.17 g/mol  logS: -0.78783  SlogP: 1.1386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142914  Sterimol/B1: 2.47846  Sterimol/B2: 3.13526  Sterimol/B3: 3.25856
  Sterimol/B4: 5.55194  Sterimol/L: 10.3945 
 
 Surface and Volume Properties
  Accessible surface: 325.425  Positive charged surface: 195.542  Negative charged surface: 129.883  Volume: 143.25
  Hydrophobic surface: 226.439  Hydrophilic surface: 98.986
 
 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.