LigandBoxID:D00560

SMILES: Fc1ccc(C(c3ccc(cc3)F)CCCN2CCC(N5C(Nc4ccccc54)=O)CC2)cc1

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D00560

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C28H30N3OF2 462.564 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 -3.8461 -11.4941
LOGS LOGP    
-7.0139 5.8059    

Links to the same SMILES compounds

LIGANDBOX C07566
CHEMBL CHEMBL1423
ZINC ZINC19796084
PUBCHEM 16362 28360962 450910


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