Drug Information

Drug ID:  NPD944
Drug Name:  Clonixin
Molecular Formula:  C13H11ClN2O2
Canonical SMILES:  OC(=O)c1cccnc1Nc1cccc(c1C)Cl
Standard InCHI:  InChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
Standard InCHIKey:  CLOMYZFHNHFSIQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; DrugBank

  Structural Similarity Between NPASS Natural Products and NPD944

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 0.7514 NPC167400
Intermediate Similarity 0.7462 NPC285923
Intermediate Similarity 0.7333 NPC476419
Intermediate Similarity 0.7268 NPC159630
Intermediate Similarity 0.7268 NPC230085
Intermediate Similarity 0.7264 NPC278434
Intermediate Similarity 0.7234 NPC263455
Intermediate Similarity 0.7181 NPC312860
Intermediate Similarity 0.7181 NPC107287
Intermediate Similarity 0.7179 NPC273532
Intermediate Similarity 0.7151 NPC112741
Intermediate Similarity 0.7143 NPC116622
Intermediate Similarity 0.7136 NPC202812
Intermediate Similarity 0.712 NPC113812
Intermediate Similarity 0.7108 NPC83111
Intermediate Similarity 0.7089 NPC243850
Intermediate Similarity 0.707 NPC309845
Intermediate Similarity 0.7064 NPC147983
Intermediate Similarity 0.7064 NPC177996
Intermediate Similarity 0.7033 NPC474916
Intermediate Similarity 0.703 NPC207851
Intermediate Similarity 0.7026 NPC41717
Intermediate Similarity 0.7005 NPC249614
Intermediate Similarity 0.7 NPC164340
Remote Similarity 0.699 NPC138370
Remote Similarity 0.6963 NPC229055
Remote Similarity 0.694 NPC114310
Remote Similarity 0.6909 NPC62995
Remote Similarity 0.6905 NPC90229
Remote Similarity 0.6901 NPC57398
Remote Similarity 0.6893 NPC44354
Remote Similarity 0.6885 NPC29702
Remote Similarity 0.6829 NPC282103
Remote Similarity 0.6798 NPC317010
Remote Similarity 0.6789 NPC105811
Remote Similarity 0.6788 NPC209362
Remote Similarity 0.6782 NPC219848
Remote Similarity 0.6772 NPC467188
Remote Similarity 0.677 NPC229893
Remote Similarity 0.6761 NPC103361
Remote Similarity 0.6749 NPC74619
Remote Similarity 0.6749 NPC256268
Remote Similarity 0.6743 NPC266249
Remote Similarity 0.6742 NPC282247
Remote Similarity 0.6732 NPC243058
Remote Similarity 0.673 NPC135950
Remote Similarity 0.6718 NPC213914
Remote Similarity 0.67 NPC111275
Remote Similarity 0.6699 NPC154339
Remote Similarity 0.6699 NPC203635
Remote Similarity 0.6698 NPC471944
Remote Similarity 0.6684 NPC70406
Remote Similarity 0.6682 NPC123839
Remote Similarity 0.6682 NPC267343
Remote Similarity 0.6681 NPC192712
Remote Similarity 0.6667 NPC74360
Remote Similarity 0.6652 NPC82370
Remote Similarity 0.6651 NPC472289
Remote Similarity 0.665 NPC78020
Remote Similarity 0.665 NPC322644
Remote Similarity 0.665 NPC267885
Remote Similarity 0.6649 NPC251391
Remote Similarity 0.6649 NPC302159
Remote Similarity 0.6635 NPC90415
Remote Similarity 0.6632 NPC313889
Remote Similarity 0.663 NPC212125
Remote Similarity 0.663 NPC306397
Remote Similarity 0.6622 NPC153980
Remote Similarity 0.6622 NPC118940
Remote Similarity 0.6622 NPC6865
Remote Similarity 0.6621 NPC183777
Remote Similarity 0.6617 NPC164664
Remote Similarity 0.6601 NPC149155
Remote Similarity 0.6601 NPC203468
Remote Similarity 0.6601 NPC110500
Remote Similarity 0.6596 NPC104712
Remote Similarity 0.6595 NPC315062
Remote Similarity 0.6595 NPC267853
Remote Similarity 0.6591 NPC116555
Remote Similarity 0.6589 NPC141454
Remote Similarity 0.6585 NPC248041
Remote Similarity 0.6585 NPC126709
Remote Similarity 0.6582 NPC476464
Remote Similarity 0.6577 NPC72956
Remote Similarity 0.6575 NPC309498
Remote Similarity 0.6575 NPC82053
Remote Similarity 0.6567 NPC244897
Remote Similarity 0.6566 NPC131718
Remote Similarity 0.6555 NPC62749
Remote Similarity 0.6547 NPC471193
Remote Similarity 0.6547 NPC471194
Remote Similarity 0.6542 NPC109922
Remote Similarity 0.6541 NPC322488
Remote Similarity 0.654 NPC469489
Remote Similarity 0.6535 NPC473317
Remote Similarity 0.6531 NPC33229
Remote Similarity 0.6516 NPC171787
Remote Similarity 0.6511 NPC316411
Remote Similarity 0.6509 NPC114974
Remote Similarity 0.6507 NPC311282
Remote Similarity 0.6507 NPC280290
Remote Similarity 0.6507 NPC220851
Remote Similarity 0.6505 NPC55772
Remote Similarity 0.6505 NPC283219
Remote Similarity 0.6504 NPC63109
Remote Similarity 0.6504 NPC27041
Remote Similarity 0.6498 NPC45459
Remote Similarity 0.6498 NPC213308
Remote Similarity 0.6498 NPC315491
Remote Similarity 0.6497 NPC74357
Remote Similarity 0.6495 NPC123906
Remote Similarity 0.6495 NPC146724
Remote Similarity 0.6491 NPC276657
Remote Similarity 0.6489 NPC471312
Remote Similarity 0.6485 NPC171393
Remote Similarity 0.6485 NPC295452
Remote Similarity 0.6485 NPC278874
Remote Similarity 0.6484 NPC165599
Remote Similarity 0.6481 NPC131887
Remote Similarity 0.6473 NPC219087
Remote Similarity 0.6471 NPC193238
Remote Similarity 0.6468 NPC471130
Remote Similarity 0.646 NPC471192
Remote Similarity 0.6455 NPC472259
Remote Similarity 0.6455 NPC289086
Remote Similarity 0.6452 NPC253476
Remote Similarity 0.645 NPC88970
Remote Similarity 0.645 NPC125597
Remote Similarity 0.6442 NPC470677
Remote Similarity 0.6442 NPC71037
Remote Similarity 0.6442 NPC191415
Remote Similarity 0.6441 NPC63041
Remote Similarity 0.6439 NPC303225
Remote Similarity 0.6438 NPC328318
Remote Similarity 0.6438 NPC328596
Remote Similarity 0.6436 NPC49217
Remote Similarity 0.6436 NPC328029
Remote Similarity 0.6435 NPC78767
Remote Similarity 0.6435 NPC329024
Remote Similarity 0.6435 NPC473814
Remote Similarity 0.6435 NPC156704
Remote Similarity 0.6429 NPC295158
Remote Similarity 0.6422 NPC302647
Remote Similarity 0.6422 NPC476686
Remote Similarity 0.6422 NPC476688
Remote Similarity 0.6422 NPC105758
Remote Similarity 0.6419 NPC93390
Remote Similarity 0.6418 NPC102423
Remote Similarity 0.6418 NPC265100
Remote Similarity 0.6414 NPC477549
Remote Similarity 0.6413 NPC48042
Remote Similarity 0.6413 NPC304179
Remote Similarity 0.6413 NPC472550
Remote Similarity 0.6408 NPC471536
Remote Similarity 0.6407 NPC130570
Remote Similarity 0.6406 NPC67288
Remote Similarity 0.6404 NPC70949
Remote Similarity 0.6402 NPC56170
Remote Similarity 0.64 NPC476467
Remote Similarity 0.64 NPC471603
Remote Similarity 0.6398 NPC235684
Remote Similarity 0.6398 NPC315555
Remote Similarity 0.6386 NPC42372
Remote Similarity 0.638 NPC314648
Remote Similarity 0.638 NPC473376
Remote Similarity 0.6377 NPC84827
Remote Similarity 0.6377 NPC145885
Remote Similarity 0.6377 NPC284775
Remote Similarity 0.6377 NPC14113
Remote Similarity 0.6373 NPC471323
Remote Similarity 0.6372 NPC317752
Remote Similarity 0.6372 NPC473821
Remote Similarity 0.6371 NPC182222
Remote Similarity 0.6368 NPC156003
Remote Similarity 0.6368 NPC224632
Remote Similarity 0.6368 NPC242116
Remote Similarity 0.636 NPC206343
Remote Similarity 0.636 NPC477908
Remote Similarity 0.636 NPC472285
Remote Similarity 0.6359 NPC74153
Remote Similarity 0.6359 NPC469529
Remote Similarity 0.6359 NPC165370
Remote Similarity 0.6359 NPC293216
Remote Similarity 0.6351 NPC317373
Remote Similarity 0.6346 NPC213468
Remote Similarity 0.6339 NPC472752
Remote Similarity 0.6338 NPC321708
Remote Similarity 0.6338 NPC221873
Remote Similarity 0.6337 NPC162268
Remote Similarity 0.6335 NPC43477
Remote Similarity 0.6333 NPC48938
Remote Similarity 0.6333 NPC102755
Remote Similarity 0.633 NPC320748
Remote Similarity 0.633 NPC59033
Remote Similarity 0.633 NPC324245
Remote Similarity 0.633 NPC317672
Remote Similarity 0.6329 NPC84347
Remote Similarity 0.6327 NPC472553
Remote Similarity 0.6327 NPC318299
Remote Similarity 0.6324 NPC471589

Drug Structure

External Identifiers

TTD   DIB005286
DrugBank   DB09218
ChEMBL   CHEMBL1332971
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D03555
PubChem CID  
ChEBI   76200
CAS Number  17737-65-4

Drug Properties

Molecular Weight  262.05
ALogP  0.7261
MLogP  2.34
XLogP  3.466
HDA  4
HBD  2
Rotatable Bonds  6
TPSA  62.22
RO5 Violation  0