LigandBoxID:D05834

SMILES: CCOC(COC1CCN(C(C(NC(c2ccc(C(=NO)N)cc2)=O)C)=O)CC1)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D05834

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C20H28N4O6 420.466 0 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 1 -0.6502 -9.0379
LOGS LOGP    
-3.9011 1.6803    

Links to the same SMILES compounds

PUBCHEM 12007083 5491394 9577986


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