LigandBoxID:D09572

NAME:Riociguat
SMILES: COC(N(c2c(nc(C4NN(c3ncccc43)Cc1ccccc1F)nc2N)N)C)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D09572

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C20H19N8O2F 422.424 0 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 0 -0.3256 -8.7399
LOGS LOGP    
-5.1291 3.2208    

[Back to top page]