LigandBoxID:D09789

SMILES: C=CCN1CCN(CC(COC(c3c(nc(c(c3c2cccc(c2)N(=O)O)C(OC)=O)C)C)=O)(C)C)CC1

2D 3D

select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D09789

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C28H40N4O6 528.650 2 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 1 -8.1031 -12.0793
LOGS LOGP    
-6.2064 4.4678    

Links to the same SMILES compounds

PUBCHEM 164031 22987907 65936 9959550


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