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


PUBCHEM-ZINC06514438

 MMsINC code: MMs03777952
Type: Neutral
Formula: C24H18N4
SMILES:   n1ccccc1/C(=N/c1ccccc1)/C(=N\c1ccccc1)/c1cccnc1
InChI:   InChI=1/C24H18N4/c1-3-11-20(12-4-1)27-23(19-10-9-16-25-18-19)24(22-15-7-8-17-26-22)28-21-13-5-2-6-14-21/h1-18H/b27-23-,28-24+

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)=122.539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.436 g/mol  logS: -5.26294  SlogP: 5.4184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.346627  Sterimol/B1: 2.54798  Sterimol/B2: 3.48484  Sterimol/B3: 6.54605
  Sterimol/B4: 9.54727  Sterimol/L: 13.7 
 
 Surface and Volume Properties
  Accessible surface: 597.036  Positive charged surface: 385.231  Negative charged surface: 211.806  Volume: 365.5
  Hydrophobic surface: 566.05  Hydrophilic surface: 30.986
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.