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


ASINEX-ZINC00001651

 MMsINC code: MMs00059251
Type: Tautomer
Formula: C19H20N2
SMILES:   n1(c2CCN(Cc2c2c1cccc2)C)Cc1ccccc1
InChI:   InChI=1/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3

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)=71.0091 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.383 g/mol  logS: -3.54493  SlogP: 4.21027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135464  Sterimol/B1: 2.72264  Sterimol/B2: 3.86676  Sterimol/B3: 4.59853
  Sterimol/B4: 8.07034  Sterimol/L: 13.303 
 
 Surface and Volume Properties
  Accessible surface: 509.779  Positive charged surface: 346.25  Negative charged surface: 158.158  Volume: 293
  Hydrophobic surface: 489.465  Hydrophilic surface: 20.314
 
 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:  
   
Parent related molecule:


MMs00059250
ASINEX-ZINC00001651