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


ACROSORGANICS-ZINC01690026

 MMsINC code: MMs00011032
Type: Neutral
Formula: C8H9ClO2
SMILES:   Clc1cc(OC)ccc1OC
InChI:   InChI=1/C8H9ClO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3

Download   format file 
Drug Similarity  |  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)=45.5414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.611 g/mol  logS: -2.21993  SlogP: 2.3572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0218101  Sterimol/B1: 2.37621  Sterimol/B2: 2.37641  Sterimol/B3: 3.84285
  Sterimol/B4: 5.21845  Sterimol/L: 12.1156 
 
 Surface and Volume Properties
  Accessible surface: 357.541  Positive charged surface: 232.171  Negative charged surface: 125.371  Volume: 159
  Hydrophobic surface: 341.728  Hydrophilic surface: 15.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.