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


ENAMINE-ZINC02816199

 MMsINC code: MMs01287754
Type: Neutral
Formula: C23H17N2+
SMILES:   [nH+]1c2n(c3c1cccc3)C(=CC(=C2)c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H16N2/c1-3-9-17(10-4-1)19-15-22(18-11-5-2-6-12-18)25-21-14-8-7-13-20(21)24-23(25)16-19/h1-16H/p+1

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)=72.7984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.403 g/mol  logS: -6.251  SlogP: 4.71609  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0887811  Sterimol/B1: 3.54156  Sterimol/B2: 3.8149  Sterimol/B3: 6.15226
  Sterimol/B4: 6.34613  Sterimol/L: 15.7 
 
 Surface and Volume Properties
  Accessible surface: 582.494  Positive charged surface: 347.987  Negative charged surface: 234.507  Volume: 330.875
  Hydrophobic surface: 532.964  Hydrophilic surface: 49.53
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01287755
ENAMINE-ZINC02816199