Drug Information

Drug ID:  NPD7626
Drug Name:  Dronedarone Hydrochloride
Molecular Formula:  C31H44N2O5S.ClH
Canonical SMILES:  CCCCc1oc2c(c1C(=O)c1ccc(cc1)OCCCN(CCCC)CCCC)cc(cc2)NS(=O)(=O)C.Cl
Standard InCHI:  InChI=1S/C31H44N2O5S.ClH/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3;/h13-18,23,32H,5-12,19-22H2,1-4H3;1H
Standard InCHIKey:  DWKVCQXJYURSIQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7626

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
Intermediate Similarity 0.7685 NPC41216
Intermediate Similarity 0.735 NPC45389
Intermediate Similarity 0.7188 NPC471652
Intermediate Similarity 0.7165 NPC471648
Intermediate Similarity 0.7095 NPC207971
Intermediate Similarity 0.7075 NPC198160
Intermediate Similarity 0.7065 NPC473007
Intermediate Similarity 0.7062 NPC471651
Intermediate Similarity 0.7062 NPC268077
Intermediate Similarity 0.7059 NPC1820
Intermediate Similarity 0.7019 NPC112937
Intermediate Similarity 0.701 NPC473008
Remote Similarity 0.6995 NPC308943
Remote Similarity 0.6995 NPC222561
Remote Similarity 0.6991 NPC116178
Remote Similarity 0.6959 NPC153631
Remote Similarity 0.6959 NPC217903
Remote Similarity 0.6959 NPC321166
Remote Similarity 0.6948 NPC477161
Remote Similarity 0.6938 NPC234933
Remote Similarity 0.6938 NPC100863
Remote Similarity 0.6938 NPC71124
Remote Similarity 0.6927 NPC55470
Remote Similarity 0.6916 NPC478075
Remote Similarity 0.6915 NPC121400
Remote Similarity 0.6911 NPC471649
Remote Similarity 0.6905 NPC5374
Remote Similarity 0.6905 NPC241263
Remote Similarity 0.6891 NPC93653
Remote Similarity 0.6884 NPC67978
Remote Similarity 0.6884 NPC303581
Remote Similarity 0.6881 NPC27887
Remote Similarity 0.6872 NPC299582
Remote Similarity 0.6842 NPC308895
Remote Similarity 0.6839 NPC476443
Remote Similarity 0.6839 NPC133817
Remote Similarity 0.6832 NPC288305
Remote Similarity 0.6832 NPC327005
Remote Similarity 0.6827 NPC254957
Remote Similarity 0.6826 NPC154922
Remote Similarity 0.6816 NPC308267
Remote Similarity 0.6816 NPC198503
Remote Similarity 0.681 NPC163867
Remote Similarity 0.6806 NPC100573
Remote Similarity 0.6806 NPC207873
Remote Similarity 0.6794 NPC230313
Remote Similarity 0.6794 NPC243626
Remote Similarity 0.6786 NPC251071
Remote Similarity 0.6783 NPC476220
Remote Similarity 0.6783 NPC160113
Remote Similarity 0.6782 NPC222524
Remote Similarity 0.6776 NPC255861
Remote Similarity 0.6776 NPC93574
Remote Similarity 0.6773 NPC298449
Remote Similarity 0.6769 NPC199737
Remote Similarity 0.6763 NPC283207
Remote Similarity 0.6763 NPC474059
Remote Similarity 0.6762 NPC477258
Remote Similarity 0.6758 NPC10732
Remote Similarity 0.6757 NPC46561
Remote Similarity 0.6741 NPC329830
Remote Similarity 0.6737 NPC120239
Remote Similarity 0.6729 NPC15987
Remote Similarity 0.6726 NPC122886
Remote Similarity 0.6724 NPC6786
Remote Similarity 0.6715 NPC169387
Remote Similarity 0.6715 NPC471650
Remote Similarity 0.6715 NPC477259
Remote Similarity 0.6712 NPC295479
Remote Similarity 0.6712 NPC313327
Remote Similarity 0.6712 NPC220241
Remote Similarity 0.67 NPC73280
Remote Similarity 0.6699 NPC206109
Remote Similarity 0.6699 NPC473004
Remote Similarity 0.6699 NPC116007
Remote Similarity 0.6699 NPC114039
Remote Similarity 0.6698 NPC193906
Remote Similarity 0.6698 NPC23080
Remote Similarity 0.6697 NPC475133
Remote Similarity 0.6696 NPC476436
Remote Similarity 0.6682 NPC308137
Remote Similarity 0.6682 NPC87560
Remote Similarity 0.6682 NPC195120
Remote Similarity 0.6682 NPC310211
Remote Similarity 0.6681 NPC113455
Remote Similarity 0.6667 NPC25961
Remote Similarity 0.6667 NPC304837
Remote Similarity 0.6667 NPC476258
Remote Similarity 0.6667 NPC280799
Remote Similarity 0.6652 NPC268223
Remote Similarity 0.6651 NPC473005
Remote Similarity 0.6651 NPC22476
Remote Similarity 0.6651 NPC90185
Remote Similarity 0.6651 NPC288759
Remote Similarity 0.665 NPC112336
Remote Similarity 0.665 NPC474814
Remote Similarity 0.6649 NPC156244
Remote Similarity 0.6637 NPC169402
Remote Similarity 0.6636 NPC268170
Remote Similarity 0.6635 NPC469815
Remote Similarity 0.6635 NPC469816
Remote Similarity 0.6622 NPC150239
Remote Similarity 0.6622 NPC16066
Remote Similarity 0.6618 NPC85613
Remote Similarity 0.6617 NPC86469
Remote Similarity 0.6615 NPC67654
Remote Similarity 0.66 NPC473196
Remote Similarity 0.66 NPC471778
Remote Similarity 0.6599 NPC247677
Remote Similarity 0.6599 NPC160015
Remote Similarity 0.6591 NPC269367
Remote Similarity 0.659 NPC301292
Remote Similarity 0.659 NPC313112
Remote Similarity 0.659 NPC475147
Remote Similarity 0.659 NPC87714
Remote Similarity 0.6589 NPC207239
Remote Similarity 0.6587 NPC21425
Remote Similarity 0.6579 NPC115588
Remote Similarity 0.6577 NPC30749
Remote Similarity 0.657 NPC128683
Remote Similarity 0.6567 NPC284842
Remote Similarity 0.6566 NPC260902
Remote Similarity 0.6566 NPC296957
Remote Similarity 0.6561 NPC61731
Remote Similarity 0.6561 NPC186569
Remote Similarity 0.6558 NPC138830
Remote Similarity 0.6552 NPC476429
Remote Similarity 0.6549 NPC118154
Remote Similarity 0.6549 NPC157983
Remote Similarity 0.6547 NPC116238
Remote Similarity 0.6544 NPC473460
Remote Similarity 0.6542 NPC124302
Remote Similarity 0.6542 NPC215098
Remote Similarity 0.6542 NPC17677
Remote Similarity 0.6542 NPC46744
Remote Similarity 0.6542 NPC73020
Remote Similarity 0.6542 NPC70290
Remote Similarity 0.6542 NPC14622
Remote Similarity 0.654 NPC226708
Remote Similarity 0.6538 NPC83511
Remote Similarity 0.6537 NPC283810
Remote Similarity 0.6537 NPC5167
Remote Similarity 0.6533 NPC476350
Remote Similarity 0.6533 NPC182853
Remote Similarity 0.6533 NPC77777
Remote Similarity 0.6533 NPC247803
Remote Similarity 0.6533 NPC476349
Remote Similarity 0.6532 NPC305542
Remote Similarity 0.653 NPC212123
Remote Similarity 0.6526 NPC125924
Remote Similarity 0.6526 NPC108847
Remote Similarity 0.6524 NPC166979
Remote Similarity 0.6524 NPC208890
Remote Similarity 0.6522 NPC266425
Remote Similarity 0.6518 NPC234772
Remote Similarity 0.6514 NPC38961
Remote Similarity 0.6513 NPC472406
Remote Similarity 0.651 NPC230943
Remote Similarity 0.6509 NPC227033
Remote Similarity 0.6505 NPC307682
Remote Similarity 0.6505 NPC28368
Remote Similarity 0.6504 NPC298436
Remote Similarity 0.6502 NPC124658
Remote Similarity 0.6502 NPC227361
Remote Similarity 0.6498 NPC119818
Remote Similarity 0.6498 NPC328700
Remote Similarity 0.6498 NPC2173
Remote Similarity 0.6498 NPC202771
Remote Similarity 0.6497 NPC1477
Remote Similarity 0.6497 NPC213608
Remote Similarity 0.6495 NPC135325
Remote Similarity 0.6495 NPC24228
Remote Similarity 0.6493 NPC28510
Remote Similarity 0.6492 NPC471646
Remote Similarity 0.6492 NPC471647
Remote Similarity 0.6484 NPC45190
Remote Similarity 0.6483 NPC151171
Remote Similarity 0.6481 NPC314100
Remote Similarity 0.6481 NPC67904
Remote Similarity 0.6481 NPC120671
Remote Similarity 0.6481 NPC72788
Remote Similarity 0.6481 NPC226652
Remote Similarity 0.6476 NPC472099
Remote Similarity 0.6476 NPC174760
Remote Similarity 0.6476 NPC476069
Remote Similarity 0.6476 NPC329790
Remote Similarity 0.6473 NPC99723
Remote Similarity 0.6471 NPC472894
Remote Similarity 0.6471 NPC319645
Remote Similarity 0.6471 NPC227683
Remote Similarity 0.6462 NPC37226
Remote Similarity 0.6462 NPC204970
Remote Similarity 0.6462 NPC226644
Remote Similarity 0.6462 NPC39929
Remote Similarity 0.6462 NPC296030
Remote Similarity 0.6458 NPC93241
Remote Similarity 0.6458 NPC17262
Remote Similarity 0.6458 NPC302181
Remote Similarity 0.6458 NPC27798
Remote Similarity 0.6457 NPC127996

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  556.30
ALogP  -2.9531
MLogP  3.99
XLogP  7.464
HDA  5
HBD  1
Rotatable Bonds  22
TPSA  97.23
RO5 Violation  2