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


PUBCHEM-ZINC00293753

 MMsINC code: MMs02651156
Type: Neutral
Formula: C19H23ClN2O2
SMILES:   Clc1ccc(N2CCN(CC2)Cc2cc(OC)ccc2OC)cc1
InChI:   InChI=1/C19H23ClN2O2/c1-23-18-7-8-19(24-2)15(13-18)14-21-9-11-22(12-10-21)17-5-3-16(20)4-6-17/h3-8,13H,9-12,14H2,1-2H3

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)=156.459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.858 g/mol  logS: -3.96197  SlogP: 3.9458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105036  Sterimol/B1: 2.47687  Sterimol/B2: 3.65929  Sterimol/B3: 4.65745
  Sterimol/B4: 8.5038  Sterimol/L: 17.8085 
 
 Surface and Volume Properties
  Accessible surface: 616.786  Positive charged surface: 434.422  Negative charged surface: 182.364  Volume: 338.375
  Hydrophobic surface: 586.882  Hydrophilic surface: 29.904
 
 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


MMs02651157
PUBCHEM-ZINC00293753