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


CHEMBRIDGE-ZINC02986979

MMsINC code: MMs00746381

Type: Neutral
Formula: C19H23ClO4
SMILES:   Clc1ccc(OCCOCCOc2ccc(cc2OC)C)cc1C
InChI:   InChI=1/C19H23ClO4/c1-14-4-7-18(19(12-14)21-3)24-11-9-22-8-10-23-16-5-6-17(20)15(2)13-16/h4-7,12-13H,8-11H2,1-3H3

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)=102.548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.842 g/mol  logS: -4.84168  SlogP: 4.43984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13679  Sterimol/B1: 2.74405  Sterimol/B2: 3.41661  Sterimol/B3: 6.3512
  Sterimol/B4: 7.37087  Sterimol/L: 18.0804 
 
 Surface and Volume Properties
  Accessible surface: 671.389  Positive charged surface: 450.356  Negative charged surface: 221.034  Volume: 339
  Hydrophobic surface: 650.249  Hydrophilic surface: 21.14
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.