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


ASINEX-ZINC00973123

 MMsINC code: MMs00226890
Type: Neutral
Formula: C24H18N2
SMILES:   n1c-2c(cc3c1cccc3)/C(=N/c1cc(ccc1C)C)/c1c-2cccc1
InChI:   InChI=1/C24H18N2/c1-15-11-12-16(2)22(13-15)26-24-19-9-5-4-8-18(19)23-20(24)14-17-7-3-6-10-21(17)25-23/h3-14H,1-2H3/b26-24+

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)=125.86 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.422 g/mol  logS: -7.34893  SlogP: 6.00114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0914576  Sterimol/B1: 2.40708  Sterimol/B2: 5.55276  Sterimol/B3: 5.89515
  Sterimol/B4: 6.27761  Sterimol/L: 16.383 
 
 Surface and Volume Properties
  Accessible surface: 584.026  Positive charged surface: 333.743  Negative charged surface: 240.123  Volume: 339.625
  Hydrophobic surface: 554.337  Hydrophilic surface: 29.689
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.