LigandBoxID:D08474

NAME:Reproterol
SMILES: OC(c1cc(cc(c1)O)O)CNCCCN2CNC3N(C(N(C(C32)=O)C)=O)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08474

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H24N5O5 390.420 1 5
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 1 -4.3737 -11.3528
LOGS LOGP    
-3.9149 0.7534    

Links to the same SMILES compounds

LIGANDBOX D05718


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