Drug ID:   | NPD7640 |
Drug Name:   | Fusidate |
Molecular Formula:   | C31H48O6 |
Canonical SMILES:   | CC(=O)O[C@H]1C[C@]2([C@H](/C/1=C(/C(=O)O)CCC=C(C)C)C[C@H]([C@@H]1[C@]2(C)CCC2[C@]1(C)CC[C@H]([C@H]2C)O)O)C |
Standard InCHI:   | InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21?,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1 |
Standard InCHIKey:   | IECPWNUMDGFDKC-CDSRIIBBSA-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 | 1.0 | NPC251680 |
High Similarity | 0.9293 | NPC88701 |
High Similarity | 0.9072 | NPC295110 |
High Similarity | 0.9072 | NPC25177 |
High Similarity | 0.9072 | NPC247701 |
High Similarity | 0.9072 | NPC268829 |
High Similarity | 0.9072 | NPC222875 |
High Similarity | 0.8889 | NPC97487 |
High Similarity | 0.8889 | NPC189588 |
High Similarity | 0.8889 | NPC187302 |
High Similarity | 0.8889 | NPC196471 |
High Similarity | 0.8889 | NPC10232 |
High Similarity | 0.8889 | NPC160583 |
High Similarity | 0.8866 | NPC218107 |
High Similarity | 0.8866 | NPC275086 |
High Similarity | 0.8866 | NPC325229 |
High Similarity | 0.8776 | NPC471041 |
High Similarity | 0.8776 | NPC476767 |
High Similarity | 0.8776 | NPC201406 |
High Similarity | 0.8763 | NPC51499 |
High Similarity | 0.8763 | NPC253826 |
High Similarity | 0.8713 | NPC119855 |
High Similarity | 0.8713 | NPC220217 |
High Similarity | 0.8713 | NPC186668 |
High Similarity | 0.87 | NPC472821 |
High Similarity | 0.87 | NPC112009 |
High Similarity | 0.8687 | NPC471412 |
High Similarity | 0.866 | NPC134072 |
High Similarity | 0.866 | NPC234993 |
High Similarity | 0.8646 | NPC57117 |
High Similarity | 0.8646 | NPC105490 |
High Similarity | 0.8632 | NPC329842 |
High Similarity | 0.8632 | NPC234335 |
High Similarity | 0.8586 | NPC471413 |
High Similarity | 0.8558 | NPC179642 |
High Similarity | 0.8557 | NPC279974 |
High Similarity | 0.8544 | NPC189075 |
High Similarity | 0.8544 | NPC275539 |
High Similarity | 0.8542 | NPC7349 |
High Similarity | 0.8542 | NPC476304 |
High Similarity | 0.8542 | NPC38232 |
High Similarity | 0.8526 | NPC78973 |
High Similarity | 0.8515 | NPC36688 |
High Similarity | 0.8515 | NPC478057 |
High Similarity | 0.8515 | NPC180204 |
High Similarity | 0.8515 | NPC95899 |
High Similarity | 0.8505 | NPC469794 |
High Similarity | 0.8505 | NPC196931 |
High Similarity | 0.8505 | NPC72772 |
Intermediate Similarity | 0.8485 | NPC108368 |
Intermediate Similarity | 0.8485 | NPC119036 |
Intermediate Similarity | 0.8485 | NPC57079 |
Intermediate Similarity | 0.8469 | NPC54248 |
Intermediate Similarity | 0.8469 | NPC276103 |
Intermediate Similarity | 0.8469 | NPC7124 |
Intermediate Similarity | 0.8462 | NPC475030 |
Intermediate Similarity | 0.8454 | NPC474922 |
Intermediate Similarity | 0.8454 | NPC279410 |
Intermediate Similarity | 0.8454 | NPC119562 |
Intermediate Similarity | 0.8454 | NPC476186 |
Intermediate Similarity | 0.8447 | NPC110496 |
Intermediate Similarity | 0.8438 | NPC477574 |
Intermediate Similarity | 0.8438 | NPC74296 |
Intermediate Similarity | 0.8438 | NPC110923 |
Intermediate Similarity | 0.8421 | NPC262858 |
Intermediate Similarity | 0.8421 | NPC472240 |
Intermediate Similarity | 0.8416 | NPC476081 |
Intermediate Similarity | 0.8416 | NPC32577 |
Intermediate Similarity | 0.8416 | NPC165250 |
Intermediate Similarity | 0.8416 | NPC114540 |
Intermediate Similarity | 0.8416 | NPC162973 |
Intermediate Similarity | 0.8416 | NPC155332 |
Intermediate Similarity | 0.8416 | NPC109195 |
Intermediate Similarity | 0.8416 | NPC476769 |
Intermediate Similarity | 0.8416 | NPC22388 |
Intermediate Similarity | 0.8416 | NPC475038 |
Intermediate Similarity | 0.84 | NPC117685 |
Intermediate Similarity | 0.84 | NPC266955 |
Intermediate Similarity | 0.84 | NPC324841 |
Intermediate Similarity | 0.8396 | NPC470063 |
Intermediate Similarity | 0.8387 | NPC474013 |
Intermediate Similarity | 0.8384 | NPC231751 |
Intermediate Similarity | 0.8384 | NPC320306 |
Intermediate Similarity | 0.8381 | NPC103491 |
Intermediate Similarity | 0.8367 | NPC276110 |
Intermediate Similarity | 0.8351 | NPC472303 |
Intermediate Similarity | 0.8351 | NPC139692 |
Intermediate Similarity | 0.835 | NPC266570 |
Intermediate Similarity | 0.835 | NPC472818 |
Intermediate Similarity | 0.8333 | NPC85742 |
Intermediate Similarity | 0.8333 | NPC473523 |
Intermediate Similarity | 0.8333 | NPC281378 |
Intermediate Similarity | 0.8333 | NPC120321 |
Intermediate Similarity | 0.8333 | NPC476237 |
Intermediate Similarity | 0.8333 | NPC45897 |
Intermediate Similarity | 0.8333 | NPC222153 |
Intermediate Similarity | 0.8333 | NPC471208 |
Intermediate Similarity | 0.8333 | NPC232202 |
Intermediate Similarity | 0.8318 | NPC962 |
Intermediate Similarity | 0.8317 | NPC11974 |
Intermediate Similarity | 0.8317 | NPC115899 |
Intermediate Similarity | 0.8317 | NPC475617 |
Intermediate Similarity | 0.8298 | NPC131813 |
Intermediate Similarity | 0.8283 | NPC195366 |
Intermediate Similarity | 0.8283 | NPC202833 |
Intermediate Similarity | 0.8283 | NPC114743 |
Intermediate Similarity | 0.8283 | NPC242848 |
Intermediate Similarity | 0.8283 | NPC304899 |
Intermediate Similarity | 0.8283 | NPC250757 |
Intermediate Similarity | 0.8283 | NPC301534 |
Intermediate Similarity | 0.8283 | NPC190713 |
Intermediate Similarity | 0.8283 | NPC253115 |
Intermediate Similarity | 0.8283 | NPC29952 |
Intermediate Similarity | 0.828 | NPC102048 |
Intermediate Similarity | 0.8273 | NPC475041 |
Intermediate Similarity | 0.8269 | NPC187435 |
Intermediate Similarity | 0.8269 | NPC471205 |
Intermediate Similarity | 0.8269 | NPC472820 |
Intermediate Similarity | 0.8269 | NPC67321 |
Intermediate Similarity | 0.8265 | NPC91010 |
Intermediate Similarity | 0.8265 | NPC201725 |
Intermediate Similarity | 0.8252 | NPC473543 |
Intermediate Similarity | 0.8252 | NPC472819 |
Intermediate Similarity | 0.8247 | NPC72845 |
Intermediate Similarity | 0.8247 | NPC130840 |
Intermediate Similarity | 0.8247 | NPC41239 |
Intermediate Similarity | 0.8247 | NPC289479 |
Intermediate Similarity | 0.8235 | NPC293753 |
Intermediate Similarity | 0.8235 | NPC234892 |
Intermediate Similarity | 0.8235 | NPC475344 |
Intermediate Similarity | 0.8235 | NPC469606 |
Intermediate Similarity | 0.8235 | NPC273005 |
Intermediate Similarity | 0.8235 | NPC31058 |
Intermediate Similarity | 0.8235 | NPC476471 |
Intermediate Similarity | 0.8229 | NPC146554 |
Intermediate Similarity | 0.8229 | NPC50488 |
Intermediate Similarity | 0.8229 | NPC170633 |
Intermediate Similarity | 0.8229 | NPC474396 |
Intermediate Similarity | 0.8229 | NPC246028 |
Intermediate Similarity | 0.8224 | NPC90952 |
Intermediate Similarity | 0.8224 | NPC194951 |
Intermediate Similarity | 0.8224 | NPC12046 |
Intermediate Similarity | 0.8218 | NPC472826 |
Intermediate Similarity | 0.8218 | NPC477971 |
Intermediate Similarity | 0.8218 | NPC154072 |
Intermediate Similarity | 0.8218 | NPC477721 |
Intermediate Similarity | 0.8218 | NPC228251 |
Intermediate Similarity | 0.8218 | NPC477968 |
Intermediate Similarity | 0.8218 | NPC47024 |
Intermediate Similarity | 0.8218 | NPC20113 |
Intermediate Similarity | 0.8218 | NPC477716 |
Intermediate Similarity | 0.8218 | NPC477972 |
Intermediate Similarity | 0.8218 | NPC470074 |
Intermediate Similarity | 0.8218 | NPC38855 |
Intermediate Similarity | 0.8218 | NPC161527 |
Intermediate Similarity | 0.8218 | NPC327431 |
Intermediate Similarity | 0.8218 | NPC307954 |
Intermediate Similarity | 0.8218 | NPC219285 |
Intermediate Similarity | 0.8211 | NPC166857 |
Intermediate Similarity | 0.8208 | NPC16270 |
Intermediate Similarity | 0.82 | NPC175351 |
Intermediate Similarity | 0.82 | NPC121402 |
Intermediate Similarity | 0.82 | NPC132753 |
Intermediate Similarity | 0.82 | NPC477718 |
Intermediate Similarity | 0.82 | NPC151681 |
Intermediate Similarity | 0.82 | NPC224356 |
Intermediate Similarity | 0.82 | NPC477719 |
Intermediate Similarity | 0.82 | NPC108078 |
Intermediate Similarity | 0.82 | NPC99726 |
Intermediate Similarity | 0.82 | NPC141401 |
Intermediate Similarity | 0.8198 | NPC145074 |
Intermediate Similarity | 0.8198 | NPC41123 |
Intermediate Similarity | 0.8198 | NPC114939 |
Intermediate Similarity | 0.819 | NPC472219 |
Intermediate Similarity | 0.819 | NPC472218 |
Intermediate Similarity | 0.819 | NPC325054 |
Intermediate Similarity | 0.819 | NPC472217 |
Intermediate Similarity | 0.819 | NPC306265 |
Intermediate Similarity | 0.819 | NPC472825 |
Intermediate Similarity | 0.819 | NPC304276 |
Intermediate Similarity | 0.819 | NPC476765 |
Intermediate Similarity | 0.819 | NPC137462 |
Intermediate Similarity | 0.8182 | NPC476174 |
Intermediate Similarity | 0.8182 | NPC271195 |
Intermediate Similarity | 0.8182 | NPC474727 |
Intermediate Similarity | 0.8173 | NPC231530 |
Intermediate Similarity | 0.8173 | NPC469607 |
Intermediate Similarity | 0.8173 | NPC34768 |
Intermediate Similarity | 0.8173 | NPC189863 |
Intermediate Similarity | 0.8173 | NPC278628 |
Intermediate Similarity | 0.8172 | NPC476927 |
Intermediate Similarity | 0.8165 | NPC266728 |
Intermediate Similarity | 0.8165 | NPC49492 |
Intermediate Similarity | 0.8163 | NPC472640 |
Intermediate Similarity | 0.8163 | NPC472641 |
Intermediate Similarity | 0.8163 | NPC99653 |
Intermediate Similarity | 0.8163 | NPC472871 |
Intermediate Similarity | 0.8163 | NPC53555 |
Intermediate Similarity | 0.8163 | NPC214697 |
Intermediate Similarity | 0.8155 | NPC254202 |
Molecular Weight   | 516.35 |
ALogP   | 1.6223 |
MLogP   | 4.21 |
XLogP   | 5.904 |
HDA   | 6 |
HBD   | 3 |
Rotatable Bonds   | 16 |
TPSA   | 104.06 |
RO5 Violation   | 1 |