Drug ID:   | NPD7638 |
Drug Name:   | Fusidate Sodium |
Molecular Formula:   | C31H48O6.Na |
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.[Na+] |
Standard InCHI:   | InChI=1S/C31H48O6.Na/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);/q;+1/p-1/b26-20-;/t18-,21?,22-,23+,24+,25-,27-,29-,30-,31-;/m0./s1 |
Standard InCHIKey:   | HJHVQCXHVMGZNC-DHUMWTJCSA-M |
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 | 0.9891 | NPC251680 |
High Similarity | 0.9192 | NPC88701 |
High Similarity | 0.9167 | NPC25177 |
High Similarity | 0.9167 | NPC222875 |
High Similarity | 0.9167 | NPC295110 |
High Similarity | 0.9167 | NPC268829 |
High Similarity | 0.9167 | NPC247701 |
High Similarity | 0.898 | NPC160583 |
High Similarity | 0.898 | NPC97487 |
High Similarity | 0.898 | NPC189588 |
High Similarity | 0.898 | NPC10232 |
High Similarity | 0.898 | NPC187302 |
High Similarity | 0.898 | NPC196471 |
High Similarity | 0.8866 | NPC201406 |
High Similarity | 0.8854 | NPC51499 |
High Similarity | 0.88 | NPC186668 |
High Similarity | 0.88 | NPC220217 |
High Similarity | 0.88 | NPC119855 |
High Similarity | 0.8788 | NPC112009 |
High Similarity | 0.8788 | NPC472821 |
High Similarity | 0.8776 | NPC471412 |
High Similarity | 0.8763 | NPC325229 |
High Similarity | 0.8763 | NPC275086 |
High Similarity | 0.8763 | NPC218107 |
High Similarity | 0.8737 | NPC105490 |
High Similarity | 0.8723 | NPC234335 |
High Similarity | 0.8673 | NPC471041 |
High Similarity | 0.8673 | NPC471413 |
High Similarity | 0.8673 | NPC476767 |
High Similarity | 0.866 | NPC253826 |
High Similarity | 0.8646 | NPC279974 |
High Similarity | 0.8641 | NPC179642 |
High Similarity | 0.8632 | NPC7349 |
High Similarity | 0.8627 | NPC275539 |
High Similarity | 0.8627 | NPC189075 |
High Similarity | 0.86 | NPC180204 |
High Similarity | 0.86 | NPC36688 |
High Similarity | 0.8585 | NPC196931 |
High Similarity | 0.8585 | NPC469794 |
High Similarity | 0.8585 | NPC72772 |
High Similarity | 0.8571 | NPC57079 |
High Similarity | 0.8571 | NPC108368 |
High Similarity | 0.8571 | NPC119036 |
High Similarity | 0.8557 | NPC234993 |
High Similarity | 0.8557 | NPC134072 |
High Similarity | 0.8544 | NPC475030 |
High Similarity | 0.8542 | NPC57117 |
High Similarity | 0.8529 | NPC110496 |
High Similarity | 0.8526 | NPC477574 |
High Similarity | 0.8526 | NPC329842 |
High Similarity | 0.85 | NPC32577 |
High Similarity | 0.85 | NPC162973 |
High Similarity | 0.85 | NPC155332 |
High Similarity | 0.85 | NPC22388 |
High Similarity | 0.85 | NPC114540 |
High Similarity | 0.85 | NPC476081 |
High Similarity | 0.85 | NPC476769 |
High Similarity | 0.85 | NPC165250 |
Intermediate Similarity | 0.8485 | NPC117685 |
Intermediate Similarity | 0.8478 | NPC474013 |
Intermediate Similarity | 0.8476 | NPC470063 |
Intermediate Similarity | 0.8469 | NPC231751 |
Intermediate Similarity | 0.8462 | NPC103491 |
Intermediate Similarity | 0.8454 | NPC276110 |
Intermediate Similarity | 0.8438 | NPC139692 |
Intermediate Similarity | 0.8438 | NPC476304 |
Intermediate Similarity | 0.8438 | NPC38232 |
Intermediate Similarity | 0.8431 | NPC266570 |
Intermediate Similarity | 0.8421 | NPC78973 |
Intermediate Similarity | 0.8416 | NPC95899 |
Intermediate Similarity | 0.8416 | NPC45897 |
Intermediate Similarity | 0.8416 | NPC222153 |
Intermediate Similarity | 0.8416 | NPC478057 |
Intermediate Similarity | 0.8416 | NPC281378 |
Intermediate Similarity | 0.8416 | NPC120321 |
Intermediate Similarity | 0.84 | NPC475617 |
Intermediate Similarity | 0.84 | NPC11974 |
Intermediate Similarity | 0.8387 | NPC131813 |
Intermediate Similarity | 0.8367 | NPC7124 |
Intermediate Similarity | 0.8367 | NPC29952 |
Intermediate Similarity | 0.8367 | NPC54248 |
Intermediate Similarity | 0.8367 | NPC253115 |
Intermediate Similarity | 0.8367 | NPC276103 |
Intermediate Similarity | 0.8367 | NPC304899 |
Intermediate Similarity | 0.8351 | NPC474922 |
Intermediate Similarity | 0.8351 | NPC279410 |
Intermediate Similarity | 0.8351 | NPC91010 |
Intermediate Similarity | 0.8351 | NPC201725 |
Intermediate Similarity | 0.8351 | NPC119562 |
Intermediate Similarity | 0.8351 | NPC476186 |
Intermediate Similarity | 0.8333 | NPC130840 |
Intermediate Similarity | 0.8333 | NPC72845 |
Intermediate Similarity | 0.8333 | NPC74296 |
Intermediate Similarity | 0.8333 | NPC110923 |
Intermediate Similarity | 0.8317 | NPC475038 |
Intermediate Similarity | 0.8317 | NPC31058 |
Intermediate Similarity | 0.8317 | NPC476471 |
Intermediate Similarity | 0.8317 | NPC475344 |
Intermediate Similarity | 0.8317 | NPC109195 |
Intermediate Similarity | 0.8317 | NPC469606 |
Intermediate Similarity | 0.8317 | NPC273005 |
Intermediate Similarity | 0.8316 | NPC262858 |
Intermediate Similarity | 0.8316 | NPC472240 |
Intermediate Similarity | 0.8302 | NPC12046 |
Intermediate Similarity | 0.8302 | NPC194951 |
Intermediate Similarity | 0.83 | NPC228251 |
Intermediate Similarity | 0.83 | NPC477971 |
Intermediate Similarity | 0.83 | NPC477972 |
Intermediate Similarity | 0.83 | NPC161527 |
Intermediate Similarity | 0.83 | NPC266955 |
Intermediate Similarity | 0.83 | NPC20113 |
Intermediate Similarity | 0.83 | NPC477968 |
Intermediate Similarity | 0.83 | NPC219285 |
Intermediate Similarity | 0.83 | NPC324841 |
Intermediate Similarity | 0.83 | NPC47024 |
Intermediate Similarity | 0.8286 | NPC16270 |
Intermediate Similarity | 0.8283 | NPC224356 |
Intermediate Similarity | 0.8283 | NPC121402 |
Intermediate Similarity | 0.8283 | NPC175351 |
Intermediate Similarity | 0.8283 | NPC151681 |
Intermediate Similarity | 0.8283 | NPC108078 |
Intermediate Similarity | 0.8283 | NPC320306 |
Intermediate Similarity | 0.8283 | NPC132753 |
Intermediate Similarity | 0.8273 | NPC114939 |
Intermediate Similarity | 0.8273 | NPC41123 |
Intermediate Similarity | 0.8273 | NPC145074 |
Intermediate Similarity | 0.8269 | NPC472825 |
Intermediate Similarity | 0.8269 | NPC304276 |
Intermediate Similarity | 0.8269 | NPC137462 |
Intermediate Similarity | 0.8265 | NPC474727 |
Intermediate Similarity | 0.8252 | NPC469607 |
Intermediate Similarity | 0.8252 | NPC278628 |
Intermediate Similarity | 0.8252 | NPC189863 |
Intermediate Similarity | 0.8252 | NPC34768 |
Intermediate Similarity | 0.8252 | NPC231530 |
Intermediate Similarity | 0.8252 | NPC472818 |
Intermediate Similarity | 0.8247 | NPC472303 |
Intermediate Similarity | 0.8235 | NPC297617 |
Intermediate Similarity | 0.8235 | NPC254202 |
Intermediate Similarity | 0.8235 | NPC85742 |
Intermediate Similarity | 0.8235 | NPC473523 |
Intermediate Similarity | 0.8235 | NPC474124 |
Intermediate Similarity | 0.8235 | NPC171014 |
Intermediate Similarity | 0.8235 | NPC471208 |
Intermediate Similarity | 0.8235 | NPC476237 |
Intermediate Similarity | 0.8229 | NPC221111 |
Intermediate Similarity | 0.8229 | NPC280149 |
Intermediate Similarity | 0.8229 | NPC471896 |
Intermediate Similarity | 0.8229 | NPC232202 |
Intermediate Similarity | 0.8224 | NPC962 |
Intermediate Similarity | 0.8224 | NPC157441 |
Intermediate Similarity | 0.8224 | NPC171126 |
Intermediate Similarity | 0.8218 | NPC289670 |
Intermediate Similarity | 0.8218 | NPC115899 |
Intermediate Similarity | 0.8211 | NPC106332 |
Intermediate Similarity | 0.8208 | NPC470076 |
Intermediate Similarity | 0.82 | NPC92275 |
Intermediate Similarity | 0.82 | NPC98868 |
Intermediate Similarity | 0.82 | NPC278673 |
Intermediate Similarity | 0.8191 | NPC474970 |
Intermediate Similarity | 0.819 | NPC284828 |
Intermediate Similarity | 0.819 | NPC173905 |
Intermediate Similarity | 0.819 | NPC472216 |
Intermediate Similarity | 0.819 | NPC5475 |
Intermediate Similarity | 0.819 | NPC476759 |
Intermediate Similarity | 0.8182 | NPC88009 |
Intermediate Similarity | 0.8182 | NPC202833 |
Intermediate Similarity | 0.8182 | NPC190713 |
Intermediate Similarity | 0.8182 | NPC471039 |
Intermediate Similarity | 0.8182 | NPC195366 |
Intermediate Similarity | 0.8182 | NPC154526 |
Intermediate Similarity | 0.8182 | NPC242848 |
Intermediate Similarity | 0.8182 | NPC475041 |
Intermediate Similarity | 0.8182 | NPC114743 |
Intermediate Similarity | 0.8182 | NPC301534 |
Intermediate Similarity | 0.8182 | NPC250757 |
Intermediate Similarity | 0.8182 | NPC472362 |
Intermediate Similarity | 0.8182 | NPC472363 |
Intermediate Similarity | 0.8173 | NPC263729 |
Intermediate Similarity | 0.8173 | NPC475570 |
Intermediate Similarity | 0.8173 | NPC302788 |
Intermediate Similarity | 0.8173 | NPC79298 |
Intermediate Similarity | 0.8173 | NPC131665 |
Intermediate Similarity | 0.8173 | NPC179380 |
Intermediate Similarity | 0.8173 | NPC255387 |
Intermediate Similarity | 0.8173 | NPC471205 |
Intermediate Similarity | 0.8173 | NPC472820 |
Intermediate Similarity | 0.8173 | NPC43063 |
Intermediate Similarity | 0.8173 | NPC473586 |
Intermediate Similarity | 0.8173 | NPC187435 |
Intermediate Similarity | 0.8173 | NPC67321 |
Intermediate Similarity | 0.8172 | NPC102048 |
Intermediate Similarity | 0.8172 | NPC32223 |
Intermediate Similarity | 0.8172 | NPC299963 |
Intermediate Similarity | 0.8163 | NPC111015 |
Intermediate Similarity | 0.8163 | NPC3359 |
Intermediate Similarity | 0.8163 | NPC47853 |
Intermediate Similarity | 0.8155 | NPC475585 |
Intermediate Similarity | 0.8155 | NPC222161 |
Intermediate Similarity | 0.8155 | NPC474550 |
Molecular Weight   | 515.34 |
ALogP   | 0.9445 |
MLogP   | 4.21 |
XLogP   | 5.423 |
HDA   | 6 |
HBD   | 2 |
Rotatable Bonds   | 16 |
TPSA   | 106.89 |
RO5 Violation   | 1 |