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


PUBCHEM-ZINC05278282

MMsINC code: MMs03230886

Type: Neutral
Formula: C8H8ClO3P
SMILES:   Cl\C(=C/P(O)(O)=O)\c1ccccc1
InChI:   InChI=1/C8H8ClO3P/c9-8(6-13(10,11)12)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)/b8-6+

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)=-12.2514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.576 g/mol  logS: -1.79232  SlogP: 1.3313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.252438  Sterimol/B1: 2.74715  Sterimol/B2: 3.09304  Sterimol/B3: 3.43744
  Sterimol/B4: 5.98153  Sterimol/L: 10.0632 
 
 Surface and Volume Properties
  Accessible surface: 372.755  Positive charged surface: 162.775  Negative charged surface: 209.98  Volume: 177.75
  Hydrophobic surface: 248.9  Hydrophilic surface: 123.855
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.