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


ASINEX-ZINC00832920

 MMsINC code: MMs00186038
Type: Neutral
Formula: C24H19N4+
SMILES:   [nH+]1c(c([nH]c1-c1c[nH]nc1-c1ccccc1)-c1ccccc1)-c1ccccc1
InChI:   InChI=1/C24H18N4/c1-4-10-17(11-5-1)21-20(16-25-28-21)24-26-22(18-12-6-2-7-13-18)23(27-24)19-14-8-3-9-15-19/h1-16H,(H,25,28)(H,26,27)/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)=78.7212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.444 g/mol  logS: -8.27195  SlogP: 5.2199  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103092  Sterimol/B1: 3.59146  Sterimol/B2: 4.03694  Sterimol/B3: 4.5323
  Sterimol/B4: 8.39423  Sterimol/L: 15.4297 
 
 Surface and Volume Properties
  Accessible surface: 633.562  Positive charged surface: 373.236  Negative charged surface: 260.326  Volume: 364.25
  Hydrophobic surface: 523.379  Hydrophilic surface: 110.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00186039
ASINEX-ZINC00832920