Job #468 - HanyEmary

Created at: Last updated at: Current status:

See Detailed Output Download CSV

 Overall Progress
100.000%
 Ligand Models 1
Name Phenylpyrazolone2
2D and 3D depictions 2D Depiction of HanyEmary 3D Depiction of HanyEmary
SMILES NS(=O)(=O)c2ccc(N1/N=C\CC1=O)cc2
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10
 Ligand Models 2
Name Phenylpyrazolone1
2D and 3D depictions 2D Depiction of HanyEmary 3D Depiction of HanyEmary
SMILES C/C2=N/N(c1ccc(Cl)cc1)C(=O)C2
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10