LigandBoxID:D01491

NAME:Butropium bromide;Coliopan
SMILES: CCCCOc2ccc(CN4(C3CCC4CC(C3)OC(C(c1ccccc1)CO)=O)C)cc2

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01491

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C28H38NO4 452.615 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 3 -3.9377 -11.7499
LOGS LOGP    
-0.1987 1.0276    

Links to the same SMILES compounds

ZINC ZINC02020508
PUBCHEM 2488 46780923 46780924 5284521 64702
64703 656592 656593 9984535 9984536


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