Drug ID:   | NPD6765 |
Drug Name:   | Fluticasone Furoate |
Molecular Formula:   | C27H29F3O6S |
Canonical SMILES:   | FCSC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F |
Standard InCHI:   | InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1 |
Standard InCHIKey:   | XTULMSXFIHGYFS-VLSRWLAYSA-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 |
---|---|---|
Intermediate Similarity | 0.8452 | NPC472823 |
Intermediate Similarity | 0.8421 | NPC475779 |
Intermediate Similarity | 0.8373 | NPC246164 |
Intermediate Similarity | 0.8304 | NPC283209 |
Intermediate Similarity | 0.8284 | NPC304692 |
Intermediate Similarity | 0.8284 | NPC194499 |
Intermediate Similarity | 0.8263 | NPC121615 |
Intermediate Similarity | 0.8263 | NPC294511 |
Intermediate Similarity | 0.8256 | NPC261184 |
Intermediate Similarity | 0.8253 | NPC228842 |
Intermediate Similarity | 0.8225 | NPC104736 |
Intermediate Similarity | 0.8204 | NPC272590 |
Intermediate Similarity | 0.8198 | NPC285567 |
Intermediate Similarity | 0.8192 | NPC167340 |
Intermediate Similarity | 0.8187 | NPC287559 |
Intermediate Similarity | 0.8182 | NPC471174 |
Intermediate Similarity | 0.8176 | NPC195954 |
Intermediate Similarity | 0.8176 | NPC88007 |
Intermediate Similarity | 0.8166 | NPC92979 |
Intermediate Similarity | 0.8161 | NPC478179 |
Intermediate Similarity | 0.8144 | NPC212257 |
Intermediate Similarity | 0.814 | NPC68848 |
Intermediate Similarity | 0.814 | NPC18986 |
Intermediate Similarity | 0.814 | NPC197596 |
Intermediate Similarity | 0.8129 | NPC473368 |
Intermediate Similarity | 0.8129 | NPC84349 |
Intermediate Similarity | 0.8125 | NPC285227 |
Intermediate Similarity | 0.8118 | NPC41880 |
Intermediate Similarity | 0.8103 | NPC121995 |
Intermediate Similarity | 0.8103 | NPC478178 |
Intermediate Similarity | 0.8092 | NPC475039 |
Intermediate Similarity | 0.8092 | NPC224394 |
Intermediate Similarity | 0.8092 | NPC663 |
Intermediate Similarity | 0.8092 | NPC476035 |
Intermediate Similarity | 0.8092 | NPC14499 |
Intermediate Similarity | 0.8084 | NPC234494 |
Intermediate Similarity | 0.8072 | NPC71821 |
Intermediate Similarity | 0.8072 | NPC216755 |
Intermediate Similarity | 0.807 | NPC7059 |
Intermediate Similarity | 0.8059 | NPC296807 |
Intermediate Similarity | 0.8059 | NPC75310 |
Intermediate Similarity | 0.8059 | NPC155939 |
Intermediate Similarity | 0.8059 | NPC141538 |
Intermediate Similarity | 0.8057 | NPC473766 |
Intermediate Similarity | 0.8057 | NPC473753 |
Intermediate Similarity | 0.8047 | NPC33938 |
Intermediate Similarity | 0.8047 | NPC471002 |
Intermediate Similarity | 0.8045 | NPC478177 |
Intermediate Similarity | 0.8036 | NPC470997 |
Intermediate Similarity | 0.8035 | NPC79571 |
Intermediate Similarity | 0.8035 | NPC5079 |
Intermediate Similarity | 0.8034 | NPC471437 |
Intermediate Similarity | 0.8034 | NPC236004 |
Intermediate Similarity | 0.8023 | NPC116639 |
Intermediate Similarity | 0.8022 | NPC242068 |
Intermediate Similarity | 0.8022 | NPC247563 |
Intermediate Similarity | 0.7989 | NPC234660 |
Intermediate Similarity | 0.7989 | NPC51568 |
Intermediate Similarity | 0.7988 | NPC263337 |
Intermediate Similarity | 0.7977 | NPC470789 |
Intermediate Similarity | 0.7977 | NPC8389 |
Intermediate Similarity | 0.7975 | NPC148374 |
Intermediate Similarity | 0.7966 | NPC470995 |
Intermediate Similarity | 0.7966 | NPC118086 |
Intermediate Similarity | 0.7965 | NPC197137 |
Intermediate Similarity | 0.7955 | NPC476861 |
Intermediate Similarity | 0.7955 | NPC476850 |
Intermediate Similarity | 0.7953 | NPC472785 |
Intermediate Similarity | 0.7953 | NPC44675 |
Intermediate Similarity | 0.7953 | NPC214541 |
Intermediate Similarity | 0.7943 | NPC276551 |
Intermediate Similarity | 0.7943 | NPC476856 |
Intermediate Similarity | 0.7943 | NPC476858 |
Intermediate Similarity | 0.7943 | NPC476857 |
Intermediate Similarity | 0.7943 | NPC123088 |
Intermediate Similarity | 0.7943 | NPC56358 |
Intermediate Similarity | 0.7941 | NPC475777 |
Intermediate Similarity | 0.7941 | NPC470996 |
Intermediate Similarity | 0.7933 | NPC469576 |
Intermediate Similarity | 0.7933 | NPC94763 |
Intermediate Similarity | 0.7931 | NPC471003 |
Intermediate Similarity | 0.7931 | NPC188649 |
Intermediate Similarity | 0.7931 | NPC69028 |
Intermediate Similarity | 0.7931 | NPC5741 |
Intermediate Similarity | 0.7923 | NPC105395 |
Intermediate Similarity | 0.7921 | NPC475237 |
Intermediate Similarity | 0.7921 | NPC475641 |
Intermediate Similarity | 0.7919 | NPC140952 |
Intermediate Similarity | 0.7919 | NPC474611 |
Intermediate Similarity | 0.7919 | NPC475967 |
Intermediate Similarity | 0.7919 | NPC477403 |
Intermediate Similarity | 0.7917 | NPC93666 |
Intermediate Similarity | 0.7914 | NPC202260 |
Intermediate Similarity | 0.7898 | NPC23387 |
Intermediate Similarity | 0.7898 | NPC470875 |
Intermediate Similarity | 0.7892 | NPC251865 |
Intermediate Similarity | 0.7889 | NPC469633 |
Intermediate Similarity | 0.7886 | NPC477405 |
Intermediate Similarity | 0.7886 | NPC288602 |
Intermediate Similarity | 0.7886 | NPC88841 |
Intermediate Similarity | 0.7886 | NPC292389 |
Intermediate Similarity | 0.7886 | NPC165218 |
Intermediate Similarity | 0.7886 | NPC469338 |
Intermediate Similarity | 0.7882 | NPC472787 |
Intermediate Similarity | 0.7879 | NPC121158 |
Intermediate Similarity | 0.7877 | NPC469848 |
Intermediate Similarity | 0.7874 | NPC335761 |
Intermediate Similarity | 0.7874 | NPC25255 |
Intermediate Similarity | 0.7874 | NPC477402 |
Intermediate Similarity | 0.787 | NPC471001 |
Intermediate Similarity | 0.787 | NPC211625 |
Intermediate Similarity | 0.787 | NPC125182 |
Intermediate Similarity | 0.787 | NPC472654 |
Intermediate Similarity | 0.787 | NPC470998 |
Intermediate Similarity | 0.787 | NPC69647 |
Intermediate Similarity | 0.7866 | NPC56197 |
Intermediate Similarity | 0.7865 | NPC88593 |
Intermediate Similarity | 0.7865 | NPC302392 |
Intermediate Similarity | 0.7865 | NPC44602 |
Intermediate Similarity | 0.7861 | NPC246841 |
Intermediate Similarity | 0.7861 | NPC1408 |
Intermediate Similarity | 0.7861 | NPC261597 |
Intermediate Similarity | 0.7861 | NPC470118 |
Intermediate Similarity | 0.7861 | NPC81405 |
Intermediate Similarity | 0.7857 | NPC255414 |
Intermediate Similarity | 0.7857 | NPC302987 |
Intermediate Similarity | 0.7853 | NPC476853 |
Intermediate Similarity | 0.7853 | NPC270312 |
Intermediate Similarity | 0.7853 | NPC472764 |
Intermediate Similarity | 0.7853 | NPC472784 |
Intermediate Similarity | 0.7853 | NPC310572 |
Intermediate Similarity | 0.7849 | NPC472786 |
Intermediate Similarity | 0.7849 | NPC25351 |
Intermediate Similarity | 0.7845 | NPC472665 |
Intermediate Similarity | 0.7844 | NPC185456 |
Intermediate Similarity | 0.7841 | NPC469849 |
Intermediate Similarity | 0.7841 | NPC470940 |
Intermediate Similarity | 0.7841 | NPC476860 |
Intermediate Similarity | 0.7836 | NPC472672 |
Intermediate Similarity | 0.7833 | NPC471632 |
Intermediate Similarity | 0.7831 | NPC243577 |
Intermediate Similarity | 0.7829 | NPC329938 |
Intermediate Similarity | 0.7829 | NPC117986 |
Intermediate Similarity | 0.7829 | NPC471167 |
Intermediate Similarity | 0.7829 | NPC193798 |
Intermediate Similarity | 0.7829 | NPC472767 |
Intermediate Similarity | 0.7829 | NPC471166 |
Intermediate Similarity | 0.7824 | NPC196846 |
Intermediate Similarity | 0.7821 | NPC159232 |
Intermediate Similarity | 0.7809 | NPC242334 |
Intermediate Similarity | 0.7809 | NPC471397 |
Intermediate Similarity | 0.7809 | NPC472766 |
Intermediate Similarity | 0.7809 | NPC472765 |
Intermediate Similarity | 0.7809 | NPC296558 |
Intermediate Similarity | 0.7809 | NPC327922 |
Intermediate Similarity | 0.7803 | NPC60973 |
Intermediate Similarity | 0.7803 | NPC209364 |
Intermediate Similarity | 0.7798 | NPC471292 |
Intermediate Similarity | 0.7797 | NPC214600 |
Intermediate Similarity | 0.7797 | NPC277618 |
Intermediate Similarity | 0.7797 | NPC149945 |
Intermediate Similarity | 0.7791 | NPC237259 |
Intermediate Similarity | 0.7791 | NPC302054 |
Intermediate Similarity | 0.7791 | NPC114880 |
Intermediate Similarity | 0.7791 | NPC253201 |
Intermediate Similarity | 0.7791 | NPC98206 |
Intermediate Similarity | 0.7791 | NPC307401 |
Intermediate Similarity | 0.7791 | NPC34421 |
Intermediate Similarity | 0.7791 | NPC178932 |
Intermediate Similarity | 0.7784 | NPC472783 |
Intermediate Similarity | 0.7784 | NPC471168 |
Intermediate Similarity | 0.7784 | NPC134254 |
Intermediate Similarity | 0.7784 | NPC39986 |
Intermediate Similarity | 0.7784 | NPC199044 |
Intermediate Similarity | 0.7784 | NPC238843 |
Intermediate Similarity | 0.7784 | NPC302369 |
Intermediate Similarity | 0.7784 | NPC472780 |
Intermediate Similarity | 0.7778 | NPC116717 |
Intermediate Similarity | 0.7771 | NPC333139 |
Intermediate Similarity | 0.7771 | NPC472299 |
Intermediate Similarity | 0.7771 | NPC472653 |
Intermediate Similarity | 0.7765 | NPC472659 |
Intermediate Similarity | 0.776 | NPC470938 |
Intermediate Similarity | 0.7759 | NPC472283 |
Intermediate Similarity | 0.7759 | NPC475066 |
Intermediate Similarity | 0.7759 | NPC187149 |
Intermediate Similarity | 0.7759 | NPC214495 |
Intermediate Similarity | 0.7759 | NPC470119 |
Intermediate Similarity | 0.7759 | NPC36655 |
Intermediate Similarity | 0.7759 | NPC286722 |
Intermediate Similarity | 0.7758 | NPC67003 |
Intermediate Similarity | 0.7753 | NPC472282 |
Intermediate Similarity | 0.7753 | NPC476224 |
Intermediate Similarity | 0.7753 | NPC472651 |
Intermediate Similarity | 0.7753 | NPC472774 |
Intermediate Similarity | 0.7753 | NPC472775 |
Intermediate Similarity | 0.7753 | NPC173516 |
Intermediate Similarity | 0.7751 | NPC224418 |
Intermediate Similarity | 0.7746 | NPC469336 |
Intermediate Similarity | 0.7746 | NPC471175 |
TTD   | DNCL002052 |
DrugBank   | DB08906 |
ChEMBL   | CHEMBL1676 |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | D06315 |
PubChem CID   | 9854489 |
ChEBI   | 74899 |
CAS Number   | 397864-44-7 |
Molecular Weight   | 538.16 |
ALogP   | 1.2723 |
MLogP   | 3.33 |
XLogP   | 3.859 |
HDA   | 5 |
HBD   | 1 |
Rotatable Bonds   | 13 |
TPSA   | 119.11 |
RO5 Violation   | 0 |