LigandBoxID:D00225

NAME:Alprazolam;Xanax
SMILES: [Cl]c2ccc4c(C(c1ccccc1)=NCC3NNC(N43)C)c2

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00225

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H13N4Cl 308.772 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -1.2242 -9.4580
LOGS LOGP    
-4.1093 4.9064    

Links to the same SMILES compounds

LIGANDBOX C06817 PDB_08H


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