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


ASINEX-ZINC02735035

 MMsINC code: MMs00277073
Type: Neutral
Formula: C19H23ClN2O
SMILES:   Clc1cc(ccc1)CN1CCN(CC1)Cc1ccccc1OC
InChI:   InChI=1/C19H23ClN2O/c1-23-19-8-3-2-6-17(19)15-22-11-9-21(10-12-22)14-16-5-4-7-18(20)13-16/h2-8,13H,9-12,14-15H2,1H3

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)=96.6412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.859 g/mol  logS: -3.85563  SlogP: 4.1992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115622  Sterimol/B1: 2.49434  Sterimol/B2: 3.34232  Sterimol/B3: 5.67124
  Sterimol/B4: 6.71124  Sterimol/L: 15.4742 
 
 Surface and Volume Properties
  Accessible surface: 599.369  Positive charged surface: 406.145  Negative charged surface: 193.224  Volume: 331.125
  Hydrophobic surface: 584.661  Hydrophilic surface: 14.708
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00277074
ASINEX-ZINC02735035