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


PUBCHEM-ZINC01595026

MMsINC code: MMs02815755

Type: Neutral
Formula: C24H18N2
SMILES:   n1c2c(n(c1-c1ccccc1)-c1ccccc1C)c1c(cc2)cccc1
InChI:   InChI=1/C24H18N2/c1-17-9-5-8-14-22(17)26-23-20-13-7-6-10-18(20)15-16-21(23)25-24(26)19-11-3-2-4-12-19/h2-16H,1H3

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)=128.462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.422 g/mol  logS: -8.24646  SlogP: 6.15412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113272  Sterimol/B1: 2.18915  Sterimol/B2: 5.08445  Sterimol/B3: 6.3212
  Sterimol/B4: 6.83847  Sterimol/L: 15.3167 
 
 Surface and Volume Properties
  Accessible surface: 563.083  Positive charged surface: 309.175  Negative charged surface: 245.464  Volume: 338.75
  Hydrophobic surface: 545.643  Hydrophilic surface: 17.44
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.