LigandBoxID:D01821

SMILES: CNCC1CCC(C(OC3C(CC(C(C3O)OC2OCC(C(C2O)NC)(O)C)N)N)O1)N

2D 3D

select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D01821

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C20H46N5O7 468.616 5 16
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 12 -14.2084 -22.4307
LOGS LOGP    
$$$$ -4.8279    

Links to the same SMILES compounds

LIGANDBOX D08219
PUBCHEM 107677 12899622 171808 3037206 3371532
58857023 9807932 9807933 9963894


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