LigandBoxID:D02008

NAME:Tadalafil;Adcirca;Cialis
SMILES: CN1CC(N6C(C1=O)Cc5c4ccccc4nc5C6c2ccc3ococ3c2)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02008

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H19N3O4 389.411 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 2 0.0222 -8.7453
LOGS LOGP    
-4.6981 2.6699    

Links to the same SMILES compounds

LIGANDBOX HTS1610-06681523 HTS1610-06681524
ZINC ZINC00538404 ZINC03993855 ZINC08204637 ZINC08204642


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