D10170

LigandBoxID:D10170

NAME:Tedatioxetine
SMILES: C1NCCC(c3ccccc3Sc2ccc(cc2)C)C1

2D	3D
	select 3D conformers:
SDF file D10170 [show] [download] [KEGG DRUG]	MOL2 file D10170-01 : [show] [download] D10170-02 : [show] [download]

Suppliers' compound IDs

KEGG_DRUG

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C18H22NS	284.446	1	2
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
0	0	-3.9270	-11.0140
LOGS	AGGREGATOR_PROBABILITY	CARCINOGENICITY_FN	CARCINOGENICITY_FN_AD
-0.221745992E+01	0.289716758E-01	+	0.8747

Links to the same SMILES compounds

LIGANDBOX	D10171
PUBCHEM	24750955	24750956	24750958	24751089	24751582
24751583	24751714	25065410	25066041	58174495	9878913

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