D08206

LigandBoxID:D08206

NAME:Methylephedrine
SMILES: CN(C(C(c1ccccc1)O)C)C

2D	3D
	select 3D conformers:
SDF file D08206 [show] [download] [KEGG DRUG]	MOL2 file D08206-01 : [show] [download] D08206-01o : [show] [download] D08206-02 : [show] [download] D08206-03 : [show] [download]

Suppliers' compound IDs

KEGG_DRUG

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C11H18NO	180.271	1	2
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
1	2	-3.9100	-13.0540
LOGS	AGGREGATOR_PROBABILITY	CARCINOGENICITY_FN	CARCINOGENICITY_FN_AD
0.156403005E+01	0.132720728E-03	-	0.1558

Links to the same SMILES compounds

LIGANDBOX	C13639	C17903	D01952	D02109	D09842
CHEMBL	CHEMBL1589978	CHEMBL445001
ZINC	ZINC00000491	ZINC00155911	ZINC03643826	ZINC03874419
PUBCHEM	102023	10904447	11954231	13666	156788
16206538	16206539	16206540	16753586	198190	20660742
24185731	25079345	25079346	25079347	25079348	2754247
2754588	2794440	3041454	4214034	4374	50923279
53297482	54575172	5706040	57752047	59091412	64782
656696	6918907	6931420	7045765	7059595	7059596
9837297	9851505

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