LigandBoxID:D01966

NAME:Ezetimibe;Zetia
SMILES: Oc1ccc(C4C(C(N4c3ccc(cc3)F)=O)CCC(c2ccc(cc2)F)O)cc1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01966

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C24H21NO3F2 409.432 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 3 -0.0024 -9.2027
LOGS LOGP    
-6.1266 5.1889    

Links to the same SMILES compounds

LIGANDBOX HTS1610-00123933 HTS1610-00123934 KSH2016-01471771
CHEMBL CHEMBL1138 CHEMBL1455301 CHEMBL369007 CHEMBL409927
ZINC ZINC00592281 ZINC03810860 ZINC03810861 ZINC09211540 ZINC09223145
ZINC11616665 ZINC11616666 ZINC35644314
PUBCHEM 10573550 10927783 11069692 11101767 11622058
11811876 150311 23728593 25145349 25145350 25145351
25145352 25145353 25145485 25145486 42066912 42066913
44450418 44477427 45039238 45039239 45039240 4979942
51455892 51456072 54156639 59756764 6710700 9811273
9832090 9852148 9854225 9915011 9940599


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