LigandBoxID:D07729

NAME:Clopidogrel;Clopidogrel;Plavix
SMILES: COC(C(N1CCc3sccc3C1)c2ccccc2[Cl])=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07729

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H17NO2SCl 322.835 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 2 -4.1911 -12.7370
LOGS LOGP    
-4.0828 4.0101    

Links to the same SMILES compounds

LIGANDBOX D00769 HTS1610-00152912 HTS1610-00152913 HTS1610-00239482 HTS1610-00239483
KSH2016-00015614 KSH2016-00060949 KSH2016-02355436 PDB_CGE
CHEMBL CHEMBL1083385 CHEMBL1317678 CHEMBL1333662 CHEMBL1771 CHEMBL1895693
ZINC ZINC00003865 ZINC00005959 ZINC34781704 ZINC35636038
PUBCHEM 10002188 10005177 10025171 10026745 10029345
10048530 10050638 10052713 10073360 10075174 10097528
10099691 10254789 10340682 10343393 10347717 10365489
10366968 10386346 10388943 10391012 10409390 10410641
10412684 10414253 10430139 10432137 10435090 10438641
10456605 10457670 10460309 10478262 10478382 10574412
10574413 11180094 11304210 11397790 11498341 11512800
115366 11656905 11685866 11686247 11742389 11742725
11743711 11754070 11845656 11846055 11846056 15984008
16757820 22386150 24780199 24780343 24780344 24780345
24883467 25141666 25142178 25142179 25142180 25142181
25142182 25142183 25142184 25142314 25142315 25271902
2806 42601929 42602007 42602008 42602009 42602010
42602011 42602012 44476714 44476715 44476811 44476812
44476813 44476814 44476815 44477175 44602976 44602977
44603149 45038698 45038699 45358949 45380369 46224497
46700916 46700917 46700986 46700987 46700988 52950423
53394723 53394724 53469274 53486386 58623037 60606
667556 6919055 9798860 9847991 9934036 9935793
9938610 9977156 9982228 9982588 9985815 9998484


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