LigandBoxID:D00892

NAME:Fluvastatin sodium;Lescol
SMILES: OC(CC(CC(C=Cc3n(c2ccccc2c3c1ccc(cc1)F)C(C)C)O)O)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00892

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C24H25NO4F 410.465 -1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 2 1.5498 -4.5384
LOGS LOGP    
-3.1985 4.4254    

Links to the same SMILES compounds

LIGANDBOX C07014 D07983 KSH2016-01632925
CHEMBL CHEMBL1078 CHEMBL1596347 CHEMBL1625726 CHEMBL170132 CHEMBL170417
CHEMBL241778 CHEMBL333442 CHEMBL350239
ZINC ZINC01530639 ZINC01886617 ZINC03830863 ZINC03830864 ZINC08582318
ZINC08582319
PUBCHEM 10147562 10501876 11319984 11546588 11547435
11592985 14099647 14099648 146801 1548971 1548972
16052012 16760425 23277134 23663976 23677807 23679527
23685001 23724787 24906289 25068800 25207820 25227448
25254225 25254226 25254227 25254228 25254376 25254377
3318754 3403 37888681 40467180 40467181 44242531
44251575 44332115 44332116 44556042 446155 45358989
45358990 50915461 53385587 53390665 53390735 53394681
53396337 5353627 56719 57273084 57347549 57347550
57369929 5791942 58995192 6347538 6474987 6914285
9810121 9831969 9887837 9932627 9954640


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