LigandBoxID:PDB_J77

NAME:J77;(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE;R77975
SMILES: CCOC(c2ccc(cc2)OCCC1CCN(c3ccc(nn3)C)CC1)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
J77(PDBeCHEM) J77(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H27N3O3 369.465 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 -0.1269 -9.0417
LOGS LOGP    
-4.7140 4.1785    

Links to the same SMILES compounds

LIGANDBOX D05506
CHEMBL CHEMBL298019
PUBCHEM 71345


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