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


FDA-ZINC01482162

MMsINC code: MMs01725444

Type: Tautomer
Formula: C20H24N2
SMILES:   n1ccccc1C(C)C=1c2c(CC=1CCN(C)C)cccc2
InChI:   InChI=1/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/t15-/m0/s1

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)=101.955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.426 g/mol  logS: -3.08649  SlogP: 4.14667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204252  Sterimol/B1: 2.2115  Sterimol/B2: 5.18794  Sterimol/B3: 6.18244
  Sterimol/B4: 6.31441  Sterimol/L: 14.067 
 
 Surface and Volume Properties
  Accessible surface: 552.229  Positive charged surface: 412.315  Negative charged surface: 139.914  Volume: 318.875
  Hydrophobic surface: 527.653  Hydrophilic surface: 24.576
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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:  
   
Parent related molecule:


MMs01725443
FDA-ZINC01482162