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


ASINEX-ZINC02521277

 MMsINC code: MMs00274300
Type: Neutral
Formula: C6H5ClO2
SMILES:   ClC(=O)c1oc(cc1)C
InChI:   InChI=1/C6H5ClO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3

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)=23.2254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.557 g/mol  logS: -2.57599  SlogP: 1.96702  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0243309  Sterimol/B1: 2.09834  Sterimol/B2: 2.51199  Sterimol/B3: 3.28096
  Sterimol/B4: 4.04263  Sterimol/L: 10.443 
 
 Surface and Volume Properties
  Accessible surface: 309.474  Positive charged surface: 120.929  Negative charged surface: 188.546  Volume: 122.75
  Hydrophobic surface: 178.54  Hydrophilic surface: 130.934
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.