Drug ID:   | NPD8140 |
Drug Name:   | Azithromycin |
Molecular Formula:   | C38H72N2O12 |
Canonical SMILES:   | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O |
Standard InCHI:   | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 |
Standard InCHIKey:   | MQTOSJVFKKJCRP-BICOPXKESA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
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 |
---|---|---|
High Similarity | 0.92 | NPC227622 |
High Similarity | 0.8846 | NPC137453 |
Intermediate Similarity | 0.7667 | NPC314451 |
Intermediate Similarity | 0.7667 | NPC314512 |
Intermediate Similarity | 0.7667 | NPC313342 |
Intermediate Similarity | 0.7667 | NPC313333 |
Intermediate Similarity | 0.7619 | NPC470283 |
Intermediate Similarity | 0.7541 | NPC314282 |
Intermediate Similarity | 0.7521 | NPC6531 |
Intermediate Similarity | 0.7478 | NPC261750 |
Intermediate Similarity | 0.7478 | NPC1111 |
Intermediate Similarity | 0.7438 | NPC314629 |
Intermediate Similarity | 0.7436 | NPC30196 |
Intermediate Similarity | 0.7328 | NPC60432 |
Intermediate Similarity | 0.7308 | NPC470284 |
Intermediate Similarity | 0.7302 | NPC316401 |
Intermediate Similarity | 0.728 | NPC315387 |
Intermediate Similarity | 0.728 | NPC316205 |
Intermediate Similarity | 0.7264 | NPC270005 |
Intermediate Similarity | 0.7264 | NPC208537 |
Intermediate Similarity | 0.7212 | NPC470282 |
Intermediate Similarity | 0.7212 | NPC314364 |
Intermediate Similarity | 0.72 | NPC471420 |
Intermediate Similarity | 0.7184 | NPC83839 |
Intermediate Similarity | 0.7154 | NPC318445 |
Intermediate Similarity | 0.7154 | NPC316133 |
Intermediate Similarity | 0.7071 | NPC474003 |
Intermediate Similarity | 0.7 | NPC150557 |
Remote Similarity | 0.6975 | NPC28224 |
Remote Similarity | 0.6967 | NPC313802 |
Remote Similarity | 0.6967 | NPC477515 |
Remote Similarity | 0.6967 | NPC314268 |
Remote Similarity | 0.6967 | NPC67917 |
Remote Similarity | 0.6957 | NPC471844 |
Remote Similarity | 0.6952 | NPC470657 |
Remote Similarity | 0.6923 | NPC192025 |
Remote Similarity | 0.6923 | NPC125253 |
Remote Similarity | 0.6923 | NPC253975 |
Remote Similarity | 0.6903 | NPC188453 |
Remote Similarity | 0.6903 | NPC42320 |
Remote Similarity | 0.6887 | NPC51662 |
Remote Similarity | 0.6887 | NPC31349 |
Remote Similarity | 0.6796 | NPC475327 |
Remote Similarity | 0.6796 | NPC476087 |
Remote Similarity | 0.6796 | NPC297768 |
Remote Similarity | 0.6796 | NPC269318 |
Remote Similarity | 0.6796 | NPC475667 |
Remote Similarity | 0.6796 | NPC186992 |
Remote Similarity | 0.6796 | NPC477347 |
Remote Similarity | 0.6796 | NPC173328 |
Remote Similarity | 0.6796 | NPC475270 |
Remote Similarity | 0.6796 | NPC238056 |
Remote Similarity | 0.6794 | NPC120420 |
Remote Similarity | 0.6762 | NPC476523 |
Remote Similarity | 0.6746 | NPC315783 |
Remote Similarity | 0.6742 | NPC99864 |
Remote Similarity | 0.6729 | NPC52533 |
Remote Similarity | 0.6727 | NPC469998 |
Remote Similarity | 0.6696 | NPC160066 |
Remote Similarity | 0.6667 | NPC320936 |
Remote Similarity | 0.6667 | NPC472352 |
Remote Similarity | 0.6667 | NPC322966 |
Remote Similarity | 0.6667 | NPC60849 |
Remote Similarity | 0.6667 | NPC477332 |
Remote Similarity | 0.6641 | NPC474371 |
Remote Similarity | 0.6617 | NPC75318 |
Remote Similarity | 0.6615 | NPC309249 |
Remote Similarity | 0.6604 | NPC277918 |
Remote Similarity | 0.6602 | NPC158302 |
Remote Similarity | 0.6602 | NPC294748 |
Remote Similarity | 0.6602 | NPC22742 |
Remote Similarity | 0.6602 | NPC85759 |
Remote Similarity | 0.6602 | NPC477344 |
Remote Similarity | 0.6602 | NPC146992 |
Remote Similarity | 0.6602 | NPC477346 |
Remote Similarity | 0.6571 | NPC47135 |
Remote Similarity | 0.6571 | NPC248415 |
Remote Similarity | 0.6567 | NPC145899 |
Remote Similarity | 0.6541 | NPC76999 |
Remote Similarity | 0.6541 | NPC477072 |
Remote Similarity | 0.6538 | NPC212106 |
Remote Similarity | 0.6531 | NPC241265 |
Remote Similarity | 0.6531 | NPC211428 |
Remote Similarity | 0.6531 | NPC285003 |
Remote Similarity | 0.6525 | NPC475918 |
Remote Similarity | 0.6522 | NPC56298 |
Remote Similarity | 0.6522 | NPC471628 |
Remote Similarity | 0.6514 | NPC203170 |
Remote Similarity | 0.6508 | NPC305261 |
Remote Similarity | 0.6507 | NPC316244 |
Remote Similarity | 0.65 | NPC291228 |
Remote Similarity | 0.65 | NPC308096 |
Remote Similarity | 0.65 | NPC206823 |
Remote Similarity | 0.6481 | NPC306838 |
Remote Similarity | 0.6476 | NPC27289 |
Remote Similarity | 0.6476 | NPC36927 |
Remote Similarity | 0.6476 | NPC44782 |
Remote Similarity | 0.6476 | NPC307400 |
Remote Similarity | 0.6476 | NPC477331 |
Remote Similarity | 0.6476 | NPC184915 |
Remote Similarity | 0.6476 | NPC477319 |
Remote Similarity | 0.6476 | NPC472201 |
Remote Similarity | 0.6476 | NPC472204 |
Remote Similarity | 0.6476 | NPC472203 |
Remote Similarity | 0.6476 | NPC224953 |
Remote Similarity | 0.6476 | NPC477317 |
Remote Similarity | 0.6476 | NPC271772 |
Remote Similarity | 0.6476 | NPC89843 |
Remote Similarity | 0.6476 | NPC126685 |
Remote Similarity | 0.6476 | NPC183888 |
Remote Similarity | 0.6476 | NPC143421 |
Remote Similarity | 0.6476 | NPC472200 |
Remote Similarity | 0.6476 | NPC115013 |
Remote Similarity | 0.6476 | NPC123204 |
Remote Similarity | 0.6476 | NPC472202 |
Remote Similarity | 0.6476 | NPC259294 |
Remote Similarity | 0.6476 | NPC119583 |
Remote Similarity | 0.6476 | NPC290012 |
Remote Similarity | 0.6476 | NPC477318 |
Remote Similarity | 0.6476 | NPC472205 |
Remote Similarity | 0.6476 | NPC169345 |
Remote Similarity | 0.6475 | NPC956 |
Remote Similarity | 0.6471 | NPC200788 |
Remote Similarity | 0.6471 | NPC243680 |
Remote Similarity | 0.6466 | NPC73829 |
Remote Similarity | 0.6466 | NPC119794 |
Remote Similarity | 0.6435 | NPC474952 |
Remote Similarity | 0.6429 | NPC97736 |
Remote Similarity | 0.6429 | NPC477237 |
Remote Similarity | 0.6429 | NPC50228 |
Remote Similarity | 0.6423 | NPC265908 |
Remote Similarity | 0.6417 | NPC469826 |
Remote Similarity | 0.6403 | NPC475394 |
Remote Similarity | 0.6403 | NPC475584 |
Remote Similarity | 0.6403 | NPC475152 |
Remote Similarity | 0.64 | NPC184550 |
Remote Similarity | 0.64 | NPC185419 |
Remote Similarity | 0.6391 | NPC475472 |
Remote Similarity | 0.6381 | NPC267592 |
Remote Similarity | 0.6379 | NPC469871 |
Remote Similarity | 0.6379 | NPC469870 |
Remote Similarity | 0.6377 | NPC172365 |
Remote Similarity | 0.6377 | NPC82931 |
Remote Similarity | 0.6377 | NPC210729 |
Remote Similarity | 0.637 | NPC235772 |
Remote Similarity | 0.637 | NPC280941 |
Remote Similarity | 0.6364 | NPC292345 |
Remote Similarity | 0.6357 | NPC473477 |
Remote Similarity | 0.6357 | NPC475892 |
Remote Similarity | 0.6346 | NPC473984 |
Remote Similarity | 0.6346 | NPC316807 |
Remote Similarity | 0.6346 | NPC98750 |
Remote Similarity | 0.6343 | NPC262050 |
Remote Similarity | 0.6337 | NPC163812 |
Remote Similarity | 0.6337 | NPC9763 |
Remote Similarity | 0.6337 | NPC39266 |
Remote Similarity | 0.6337 | NPC169085 |
Remote Similarity | 0.6337 | NPC225748 |
Remote Similarity | 0.633 | NPC477728 |
Remote Similarity | 0.6328 | NPC477238 |
Remote Similarity | 0.6327 | NPC477754 |
Remote Similarity | 0.6327 | NPC477760 |
Remote Similarity | 0.6327 | NPC477758 |
Remote Similarity | 0.6327 | NPC477759 |
Remote Similarity | 0.6327 | NPC286842 |
Remote Similarity | 0.6327 | NPC206601 |
Remote Similarity | 0.6327 | NPC477761 |
Remote Similarity | 0.6316 | NPC313657 |
Remote Similarity | 0.6311 | NPC470622 |
Remote Similarity | 0.6311 | NPC477350 |
Remote Similarity | 0.6286 | NPC70574 |
Remote Similarity | 0.6281 | NPC475150 |
Remote Similarity | 0.627 | NPC39485 |
Remote Similarity | 0.627 | NPC221196 |
Remote Similarity | 0.6262 | NPC93630 |
Remote Similarity | 0.6261 | NPC471843 |
Remote Similarity | 0.626 | NPC469824 |
Remote Similarity | 0.625 | NPC476783 |
Remote Similarity | 0.625 | NPC476019 |
Remote Similarity | 0.625 | NPC476782 |
Remote Similarity | 0.625 | NPC216883 |
Remote Similarity | 0.625 | NPC476781 |
Remote Similarity | 0.6239 | NPC315036 |
Remote Similarity | 0.623 | NPC473578 |
Remote Similarity | 0.6224 | NPC477752 |
Remote Similarity | 0.6224 | NPC477764 |
Remote Similarity | 0.6224 | NPC477751 |
Remote Similarity | 0.6224 | NPC477756 |
Remote Similarity | 0.622 | NPC235625 |
Remote Similarity | 0.6218 | NPC221148 |
Remote Similarity | 0.6216 | NPC470009 |
Remote Similarity | 0.621 | NPC157571 |
Remote Similarity | 0.6207 | NPC472273 |
Remote Similarity | 0.6202 | NPC23963 |
Remote Similarity | 0.6198 | NPC126753 |
Remote Similarity | 0.6198 | NPC317534 |
Remote Similarity | 0.6198 | NPC203974 |
Remote Similarity | 0.619 | NPC315131 |
Remote Similarity | 0.619 | NPC315535 |
Remote Similarity | 0.619 | NPC477328 |
Molecular Weight   | 748.51 |
ALogP   | -2.5265 |
MLogP   | 4.1 |
XLogP   | 1.888 |
HDA   | 14 |
HBD   | 5 |
Rotatable Bonds   | 26 |
TPSA   | 180.08 |
RO5 Violation   | 1 |