LigandBoxID:D02603

NAME:Diethazine hydrochloride
SMILES: CCN(CCN3c1ccccc1Sc2ccccc32)CC

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02603

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H23N2S 299.461 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 0 -4.0530 -10.4866
LOGS LOGP    
-4.4977 4.9635    

Links to the same SMILES compounds

LIGANDBOX D07823 HTS1610-00582570
CHEMBL CHEMBL1429439 CHEMBL1620412
ZINC ZINC00001286
PUBCHEM 23622916 2901834 65535 67648 6918965


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