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


FDA-ZINC00000607

 MMsINC code: MMs01724799
Type: Tautomer
Formula: C16H20N2
SMILES:   n1ccccc1C(CCN(C)C)c1ccccc1
InChI:   InChI=1/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3/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)=68.068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.35 g/mol  logS: -2.05681  SlogP: 3.1652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183234  Sterimol/B1: 3.73385  Sterimol/B2: 3.9962  Sterimol/B3: 4.13392
  Sterimol/B4: 6.57788  Sterimol/L: 13.1798 
 
 Surface and Volume Properties
  Accessible surface: 499.676  Positive charged surface: 371.314  Negative charged surface: 128.362  Volume: 264.75
  Hydrophobic surface: 485.758  Hydrophilic surface: 13.918
 
 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:


MMs01724798
FDA-ZINC00000607