D00625

LigandBoxID:D00625

NAME:Miglitol;Glyset
SMILES: OCCN1CC(C(C(C1CO)O)O)O

2D	3D
	select 3D conformers:
SDF file D00625 [show] [download] [KEGG DRUG]	MOL2 file D00625-01 : [show] [download] D00625-01o : [show] [download] D00625-02 : [show] [download] D00625-03 : [show] [download] D00625-04 : [show] [download] D00625-05 : [show] [download] D00625-06 : [show] [download]

Suppliers' compound IDs

KEGG_DRUG

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C8H18NO5	208.234	1	6
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
5	5	-4.5710	-14.6670
LOGS	AGGREGATOR_PROBABILITY	CARCINOGENICITY_FN	CARCINOGENICITY_FN_AD
0.436833000E+01	0.239317251E-05	-	0.5543

Links to the same SMILES compounds

LIGANDBOX	03041376	C07708	PDB_MIG
CHEMBL	CHEMBL1527329	CHEMBL1561
ZINC	ZINC03831131	ZINC03831132	ZINC03831133	ZINC03831134	ZINC04097426
ZINC04165550	ZINC04165583	ZINC04165606	ZINC11592756	ZINC39937314	ZINC44168948
PUBCHEM	12766463	23622608	40467205	40467206	40467207
40467208	40473182	40477190	40477191	42052022	42052023
441314	45039933	49759862	51397098	51397099	51397100
51400349	51400354	51400355	51577	57369304	57560749
6710690	9794283

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