LigandBoxID:D07905

SMILES: OCC(NC(C1CN(C4Cc3cnc2cccc(c32)C4=C1)C)=O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D07905

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H24N3O2 326.420 1 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 4 -3.8974 -11.2858
LOGS LOGP    
-3.8684 2.4558    

Links to the same SMILES compounds

LIGANDBOX C07543 D01163
CHEMBL CHEMBL119443 CHEMBL1213135 CHEMBL1328503 CHEMBL1368134 CHEMBL1555758
CHEMBL1617719
ZINC ZINC03872471 ZINC03872471 ZINC03872472 ZINC03872472 ZINC03872473
ZINC03872473 ZINC03872474 ZINC03872474
PUBCHEM 114828 16667683 16759285 20831151 21155827
3083554 3250 441286 443884 5317168 53384526
5380392 5462632 5486180 60148391 6071 6437065
6508566 6710625 6857771 7059517 7059518 7059519
7059520


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