LigandBoxID:D00670

NAME:Donepezil hydrochloride;Aricept
SMILES: COc3cc4CC(C(c4cc3OC)=O)CC1CCN(Cc2ccccc2)CC1

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00670

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C24H30NO3 380.508 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -3.7191 -11.5018
LOGS LOGP    
-5.3393 4.2482    

Links to the same SMILES compounds

LIGANDBOX D07869 HTS1610-00123792 HTS1610-00123793 PDB_E20
CHEMBL CHEMBL107316 CHEMBL108726 CHEMBL1678 CHEMBL502
ZINC ZINC00597013 ZINC00897251
PUBCHEM 10916711 11193589 11341853 11365507 11366088
11397232 11399831 11497247 11504787 11505010 1150567
11510463 11547418 11553534 11554086 11569528 11585124
11591609 11598094 11599808 11603801 11604648 11635528
11677224 11686805 11691749 11692955 11697764 11705976
11842608 11949659 12001554 16036752 16036753 16038340
19902248 24737645 24779727 24801485 24801486 24801487
24864103 25067534 25138366 25217396 25217397 25217504
25217505 25217506 25217507 25217508 25217620 3152
3876660 42647283 44186814 44247590 44263804 44359231
44477437 44623939 44819475 44819476 44819477 44819478
450956 45588101 46240408 46240409 46240410 46240411
46240503 46240504 46240505 46240506 46240507 46240606
46240607 46240608 46240609 46240610 46240711 46240712
46240713 46240714 46240815 46240816 46240817 46240818
46240923 46240924 46240925 46240926 46240927 46241038
46241039 46241040 46241041 46241042 46241043 46241141
46241142 46241143 46241144 46241145 46241146 46241147
46241155 46241156 46241157 46241240 46241241 46241242
46241243 46241244 46241338 46241339 46241340 46241341
46241342 46241349 46241350 46241351 46241430 46241431
46241432 46241433 46241434 46241438 46241439 46241440
46241441 46241442 46241537 46241538 46241539 46241540
46241545 46241546 46241547 46241643 46241644 46241645
46241646 46241647 46241752 46241753 46241754 46241755
46241864 46241865 46241866 46241867 46241868 46241973
46241974 46241975 46241976 49849623 50991348 53469854
54757471 56640731 56640734 56847196 56847252 56847253
56847254 56847255 56847256 56847257 56847317 56847447
56847448 56847449 56847450 56947395 56948672 5741
59360149 59360153 59360155 59360156 59360157 59360158
59863312 6957638 6971138 969462 9809646 9810733
9830939 9831580 9831634 9831790 9852489 9873345
9874514 9874760 9875619 9875656 9890434 9896365
9897056 9936016 9939331 9958257


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