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


PUBCHEM-ZINC05648555

 MMsINC code: MMs03335020
Type: Neutral
Formula: C24H22N4
SMILES:   [nH]1c/2c(CCC\C\2=N\N=C\2/CCCc3c/2[nH]c2c3cccc2)c2c1cccc2
InChI:   InChI=1/C24H22N4/c1-3-11-19-15(7-1)17-9-5-13-21(23(17)25-19)27-28-22-14-6-10-18-16-8-2-4-12-20(16)26-24(18)22/h1-4,7-8,11-12,25-26H,5-6,9-10,13-14H2/b27-21+,28-22+

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)=73.8604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.468 g/mol  logS: -5.51126  SlogP: 5.51514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0119441  Sterimol/B1: 2.51689  Sterimol/B2: 3.27436  Sterimol/B3: 4.85253
  Sterimol/B4: 5.85827  Sterimol/L: 20.0268 
 
 Surface and Volume Properties
  Accessible surface: 649.553  Positive charged surface: 411.872  Negative charged surface: 225.999  Volume: 364.375
  Hydrophobic surface: 580.537  Hydrophilic surface: 69.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.