LigandBoxID:D03690

SMILES: OCCOCN2CNc1cnc(nc21)N

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D03690

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C8H11N5O2 209.209 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 -0.2082 -8.9759
LOGS LOGP    
-1.8423 0.9671    

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