LigandBoxID:D08255

NAME:Naratriptan;Naramig
SMILES: CNS(CCc2ccc3ncc(c3c2)C1CCN(CC1)C)(=O)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08255

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H26N3O2S 336.479 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -3.8949 -11.2193
LOGS LOGP    
-3.3610 2.3566    

Links to the same SMILES compounds

LIGANDBOX C07792 D00674
CHEMBL CHEMBL1200601 CHEMBL1278
ZINC ZINC00004076
PUBCHEM 10545065 10568962 24848257 25137850 44231940
44243086 44243087 44243339 44243340 44243379 44243380
44243381 44243382 44243383 44243384 44243421 44243422
4440 45040002 45040003 49849797 51371185 57414176
60875 9875951 9895485 9896770


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