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