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


PUBCHEM-ZINC05837197

 MMsINC code: MMs03408634
Type: Neutral
Formula: C9H19O2PS
SMILES:   S(P(OC1CCCC1)(=O)C)CCC
InChI:   InChI=1/C9H19O2PS/c1-3-8-13-12(2,10)11-9-6-4-5-7-9/h9H,3-8H2,1-2H3/t12-/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)=5.248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.289 g/mol  logS: -1.94552  SlogP: 2.8415  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0612727  Sterimol/B1: 2.4184  Sterimol/B2: 3.25  Sterimol/B3: 4.39711
  Sterimol/B4: 4.52534  Sterimol/L: 14.1277 
 
 Surface and Volume Properties
  Accessible surface: 453.776  Positive charged surface: 304.589  Negative charged surface: 149.186  Volume: 219.625
  Hydrophobic surface: 344.689  Hydrophilic surface: 109.087
 
 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.