LigandBoxID:D06651

SMILES: OCC2OC(N1CNC(N1)C(=N)N)C(C2O)O

2D 3D

select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D06651

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C8H13N5O4 243.223 0 6
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 4 -0.2468 -9.1929
LOGS LOGP    
-1.1149 -0.0092    

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