LigandBoxID:D07451

NAME:Amosulalol
SMILES: COc2ccccc2OCCNCC(c1ccc(c(S(=O)(=O)N)c1)C)O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07451

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H25N2O5S 381.472 1 5
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 1 -4.0703 -11.9058
LOGS LOGP    
$$$$ 1.3020    

Links to the same SMILES compounds

LIGANDBOX D01469
CHEMBL CHEMBL152231
PUBCHEM 123707 2169 44129702


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