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


ENAMINE-ZINC05072614

 MMsINC code: MMs01583724
Type: Neutral
Formula: C24H20N5+
SMILES:   [nH+]1c-2n(c3c1cccc3)C(Nc1c-2cccc1)c1cn(nc1C)-c1ccccc1
InChI:   InChI=1/C24H19N5/c1-16-19(15-28(27-16)17-9-3-2-4-10-17)24-25-20-12-6-5-11-18(20)23-26-21-13-7-8-14-22(21)29(23)24/h2-15,24-25H,1H3/p+1/t24-/m1/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)=54.2103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.459 g/mol  logS: -6.42109  SlogP: 4.68442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.350676  Sterimol/B1: 2.11457  Sterimol/B2: 5.70205  Sterimol/B3: 7.57631
  Sterimol/B4: 8.38827  Sterimol/L: 14.4646 
 
 Surface and Volume Properties
  Accessible surface: 642.091  Positive charged surface: 364.069  Negative charged surface: 278.022  Volume: 373.625
  Hydrophobic surface: 569.09  Hydrophilic surface: 73.001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 2
  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01583725
ENAMINE-ZINC05072614