LigandBoxID:D08514

NAME:Sildenafil;Aphrodil
SMILES: CCCC2NN(C4C(NC(c3cc(S(N1CCN(CC1)C)(=O)=O)ccc3OCC)=NC42)=O)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08514

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H31N6O4S 475.593 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 0 -4.5657 -10.3851
LOGS LOGP    
-4.5394 1.6250    

Links to the same SMILES compounds

LIGANDBOX C07259 D02229 PDB_VIA


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