LigandBoxID:D05629

SMILES: OCC(NC3CC(C(C(C3OC2OC(C(C(C2O)N)O)CO)O)OC1OC(C(C(C1N)O)O)CN)N)CO

2D 3D

select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D05629

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H48N5O12 562.638 5 22
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
12 15 -13.7876 -22.3557
LOGS LOGP    
0.3722 -5.2959    

Links to the same SMILES compounds

PUBCHEM 68557 9872451


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