LigandBoxID:D01514

NAME:Etizolam;Sedekopan
SMILES: CCc1cc4C(c2ccccc2[Cl])=NCC3NNC(N3c4s1)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01514

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H15N4SCl 342.853 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -1.1606 -9.7019
LOGS LOGP    
-5.2246 4.9711    

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