LigandBoxID:D04492

SMILES: OCC(C(N7Cc2ccccc2CC7C(N6C3CCCCC3CC6C(NC(C(=O)O)CCCNC(=N)N)=O)=O)=O)NC(C(Cc1sccc1)NC(CNC(C5CC(CN5C(C4CCCN4C(C(NC(C(CCCNC(=N)N)N)=O)CCCNC(=N)N)=O)=O)O)=O)=O)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D04492

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C59H89N19O13S 1304.546 0 22
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
16 12 -3.8089 -5.4694
LOGS LOGP    
-13.8858 -2.3174    

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