LigandBoxID:D02582

SMILES: [Cl]c3ccc(C(CN2CNCC2)OCc4ccc(Sc1ccccc1)cc4)c(c3)[Cl]

2D 3D

select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D02582

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C24H20N2OSCl2 455.408 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 1 -0.4451 -8.4428
LOGS LOGP    
-7.9758 5.8980    

Links to the same SMILES compounds

LIGANDBOX D02583


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