LigandBoxID:D01758

NAME:Haloxazolam;Somelin
SMILES: O=C1CN3CCOC3(c4cc(ccc4N1)[Br])c2ccccc2F

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01758

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H15N2O2FBr 378.221 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 2 -4.3581 -12.8385
LOGS LOGP    
-4.1955 4.0398    

Links to the same SMILES compounds

ZINC ZINC00607918 ZINC01850314
PUBCHEM 25273630 25273631 3563 37888386 37888387


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