LigandBoxID:D06300

SMILES: OP(OCC1OC(N3CNc2c(ncnc32)N)C(C1O)O)(=O)O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D06300

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C10H12N5O7P 345.208 -2 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
10 4 3.5366 0.3926
LOGS LOGP    
$$$$ 0.3639    

Links to the same SMILES compounds

LIGANDBOX C00020 D02769 D06299 HTS1306-00103967 HTS1306-00381894
HTS1306-01578411 HTS1306-01928759 HTS1306-02524719 PDB_A PDB_A5O PDB_AMP
PDB_AP7


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