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


CHEMBRIDGE-ZINC01842913

 MMsINC code: MMs00699093
Type: Neutral
Formula: C12H9ClFO4P
SMILES:   Clc1ccc(OP(Oc2ccccc2F)(O)=O)cc1
InChI:   InChI=1/C12H9ClFO4P/c13-9-5-7-10(8-6-9)17-19(15,16)18-12-4-2-1-3-11(12)14/h1-8H,(H,15,16)

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)=23.2472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.625 g/mol  logS: -3.95419  SlogP: 2.9671  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0439126  Sterimol/B1: 2.41866  Sterimol/B2: 3.04648  Sterimol/B3: 3.74643
  Sterimol/B4: 5.05778  Sterimol/L: 15.6522 
 
 Surface and Volume Properties
  Accessible surface: 482.548  Positive charged surface: 191.676  Negative charged surface: 290.872  Volume: 239
  Hydrophobic surface: 405.509  Hydrophilic surface: 77.039
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.