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


NCID-ZINC01639529

 MMsINC code: MMs02281758
Type: Tautomer
Formula: C19H18N2
SMILES:   n1ccccc1N(Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C19H18N2/c1-3-9-17(10-4-1)15-21(19-13-7-8-14-20-19)16-18-11-5-2-6-12-18/h1-14H,15-16H2

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)=75.7165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.367 g/mol  logS: -3.90121  SlogP: 4.8212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101813  Sterimol/B1: 2.88212  Sterimol/B2: 3.30639  Sterimol/B3: 3.90717
  Sterimol/B4: 8.2008  Sterimol/L: 14.3732 
 
 Surface and Volume Properties
  Accessible surface: 519.611  Positive charged surface: 309.824  Negative charged surface: 209.787  Volume: 291.125
  Hydrophobic surface: 499.531  Hydrophilic surface: 20.08
 
 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:


MMs02281757
NCID-ZINC01639529