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


CHEMDIV-ZINC00088174

 MMsINC code: MMs00831783
Type: Neutral
Formula: C20H23ClN2O
SMILES:   Clc1cc(ccc1)C(=O)N1CCN(CC1)CCCc1ccccc1
InChI:   InChI=1/C20H23ClN2O/c21-19-10-4-9-18(16-19)20(24)23-14-12-22(13-15-23)11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16H,5,8,11-15H2

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)=92.2425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.87 g/mol  logS: -4.23718  SlogP: 3.73057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0614784  Sterimol/B1: 3.53052  Sterimol/B2: 3.72536  Sterimol/B3: 3.82238
  Sterimol/B4: 7.23846  Sterimol/L: 16.9563 
 
 Surface and Volume Properties
  Accessible surface: 621.376  Positive charged surface: 372.454  Negative charged surface: 248.923  Volume: 336.875
  Hydrophobic surface: 587.512  Hydrophilic surface: 33.864
 
 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


MMs00831784
CHEMDIV-ZINC00088174