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


ENAMINE-ZINC06599610

 MMsINC code: MMs01682640
Type: Neutral
Formula: C19H23NO2
SMILES:   O(CC=C)c1ccccc1CNCCc1ccc(OC)cc1
InChI:   InChI=1/C19H23NO2/c1-3-14-22-19-7-5-4-6-17(19)15-20-13-12-16-8-10-18(21-2)11-9-16/h3-11,20H,1,12-15H2,2H3

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)=73.8455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.398 g/mol  logS: -3.55174  SlogP: 3.85867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0276644  Sterimol/B1: 2.53794  Sterimol/B2: 3.73159  Sterimol/B3: 5.62798
  Sterimol/B4: 6.63768  Sterimol/L: 18.15 
 
 Surface and Volume Properties
  Accessible surface: 620.286  Positive charged surface: 418.886  Negative charged surface: 201.4  Volume: 317.75
  Hydrophobic surface: 529.77  Hydrophilic surface: 90.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs01682641
ENAMINE-ZINC06599610