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


ASINEX-ZINC00899331

 MMsINC code: MMs00212064
Type: Neutral
Formula: C24H19N3O3
SMILES:   Oc1cc(NC(=O)/C(/NC(=O)c2ccccc2)=C/c2c3c([nH]c2)cccc3)ccc1
InChI:   InChI=1/C24H19N3O3/c28-19-10-6-9-18(14-19)26-24(30)22(27-23(29)16-7-2-1-3-8-16)13-17-15-25-21-12-5-4-11-20(17)21/h1-15,25,28H,(H,26,30)(H,27,29)/b22-13+

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)=137.814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.434 g/mol  logS: -5.79466  SlogP: 4.2831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.035173  Sterimol/B1: 3.1625  Sterimol/B2: 3.64144  Sterimol/B3: 4.92875
  Sterimol/B4: 9.45834  Sterimol/L: 17.4973 
 
 Surface and Volume Properties
  Accessible surface: 663.699  Positive charged surface: 359.935  Negative charged surface: 297.529  Volume: 375
  Hydrophobic surface: 524.371  Hydrophilic surface: 139.328
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.