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


PUBCHEM-ZINC00294142

 MMsINC code: MMs02651256
Type: Neutral
Formula: C19H23FN2
SMILES:   Fc1ccccc1N1CCN(CC1)Cc1ccc(cc1)CC
InChI:   InChI=1/C19H23FN2/c1-2-16-7-9-17(10-8-16)15-21-11-13-22(14-12-21)19-6-4-3-5-18(19)20/h3-10H,2,11-15H2,1H3

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)=137.339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.405 g/mol  logS: -4.41104  SlogP: 3.97667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0758412  Sterimol/B1: 3.05467  Sterimol/B2: 3.52207  Sterimol/B3: 3.79148
  Sterimol/B4: 5.17421  Sterimol/L: 17.9492 
 
 Surface and Volume Properties
  Accessible surface: 569.908  Positive charged surface: 384.99  Negative charged surface: 184.918  Volume: 310
  Hydrophobic surface: 530.543  Hydrophilic surface: 39.365
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs02651257
PUBCHEM-ZINC00294142