Drug ID:   | NPD4417 |
Drug Name:   | Tazarotene |
Molecular Formula:   | C21H21NO2S |
Canonical SMILES:   | CCOC(=O)c1ccc(nc1)C#Cc1ccc2c(c1)C(C)(C)CCS2 |
Standard InCHI:   | InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3 |
Standard InCHIKey:   | OGQICQVSFDPSEI-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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 | 0.8138 | NPC249614 |
Intermediate Similarity | 0.7608 | NPC289086 |
Intermediate Similarity | 0.7594 | NPC107287 |
Intermediate Similarity | 0.7538 | NPC191310 |
Intermediate Similarity | 0.7536 | NPC123395 |
Intermediate Similarity | 0.7534 | NPC477788 |
Intermediate Similarity | 0.7512 | NPC135950 |
Intermediate Similarity | 0.7452 | NPC103361 |
Intermediate Similarity | 0.7421 | NPC57797 |
Intermediate Similarity | 0.7421 | NPC250807 |
Intermediate Similarity | 0.7399 | NPC228377 |
Intermediate Similarity | 0.7399 | NPC328186 |
Intermediate Similarity | 0.7399 | NPC477787 |
Intermediate Similarity | 0.7399 | NPC122968 |
Intermediate Similarity | 0.7387 | NPC473850 |
Intermediate Similarity | 0.738 | NPC112741 |
Intermediate Similarity | 0.7376 | NPC282103 |
Intermediate Similarity | 0.7336 | NPC63041 |
Intermediate Similarity | 0.7321 | NPC146824 |
Intermediate Similarity | 0.7302 | NPC48042 |
Intermediate Similarity | 0.7302 | NPC304179 |
Intermediate Similarity | 0.7302 | NPC472550 |
Intermediate Similarity | 0.7301 | NPC292416 |
Intermediate Similarity | 0.7301 | NPC473689 |
Intermediate Similarity | 0.7301 | NPC316841 |
Intermediate Similarity | 0.7294 | NPC264674 |
Intermediate Similarity | 0.7294 | NPC4421 |
Intermediate Similarity | 0.7289 | NPC475362 |
Intermediate Similarity | 0.7286 | NPC84347 |
Intermediate Similarity | 0.7281 | NPC280473 |
Intermediate Similarity | 0.7281 | NPC323551 |
Intermediate Similarity | 0.7269 | NPC244839 |
Intermediate Similarity | 0.7269 | NPC320324 |
Intermediate Similarity | 0.7269 | NPC319880 |
Intermediate Similarity | 0.7265 | NPC76565 |
Intermediate Similarity | 0.726 | NPC477909 |
Intermediate Similarity | 0.726 | NPC477907 |
Intermediate Similarity | 0.726 | NPC42678 |
Intermediate Similarity | 0.7248 | NPC41724 |
Intermediate Similarity | 0.7248 | NPC51008 |
Intermediate Similarity | 0.7244 | NPC87152 |
Intermediate Similarity | 0.7244 | NPC476110 |
Intermediate Similarity | 0.7244 | NPC475600 |
Intermediate Similarity | 0.7244 | NPC475631 |
Intermediate Similarity | 0.7241 | NPC207851 |
Intermediate Similarity | 0.7237 | NPC237702 |
Intermediate Similarity | 0.7232 | NPC475137 |
Intermediate Similarity | 0.7232 | NPC475498 |
Intermediate Similarity | 0.7227 | NPC477908 |
Intermediate Similarity | 0.7227 | NPC206343 |
Intermediate Similarity | 0.7212 | NPC475644 |
Intermediate Similarity | 0.7212 | NPC471977 |
Intermediate Similarity | 0.7212 | NPC470486 |
Intermediate Similarity | 0.7212 | NPC471190 |
Intermediate Similarity | 0.7207 | NPC477901 |
Intermediate Similarity | 0.7205 | NPC475406 |
Intermediate Similarity | 0.7202 | NPC472553 |
Intermediate Similarity | 0.7202 | NPC476467 |
Intermediate Similarity | 0.7198 | NPC138370 |
Intermediate Similarity | 0.7195 | NPC473115 |
Intermediate Similarity | 0.7195 | NPC158020 |
Intermediate Similarity | 0.7195 | NPC75600 |
Intermediate Similarity | 0.7195 | NPC6576 |
Intermediate Similarity | 0.7195 | NPC473089 |
Intermediate Similarity | 0.7195 | NPC212768 |
Intermediate Similarity | 0.7195 | NPC62367 |
Intermediate Similarity | 0.7184 | NPC44354 |
Intermediate Similarity | 0.7182 | NPC470306 |
Intermediate Similarity | 0.7175 | NPC477903 |
Intermediate Similarity | 0.7174 | NPC327904 |
Intermediate Similarity | 0.7174 | NPC38959 |
Intermediate Similarity | 0.7169 | NPC165837 |
Intermediate Similarity | 0.7162 | NPC301368 |
Intermediate Similarity | 0.7162 | NPC84815 |
Intermediate Similarity | 0.7162 | NPC216428 |
Intermediate Similarity | 0.7162 | NPC472555 |
Intermediate Similarity | 0.7149 | NPC471014 |
Intermediate Similarity | 0.7149 | NPC471016 |
Intermediate Similarity | 0.7149 | NPC475596 |
Intermediate Similarity | 0.7149 | NPC6981 |
Intermediate Similarity | 0.7149 | NPC475408 |
Intermediate Similarity | 0.7149 | NPC475303 |
Intermediate Similarity | 0.7143 | NPC472752 |
Intermediate Similarity | 0.7143 | NPC109922 |
Intermediate Similarity | 0.7143 | NPC235364 |
Intermediate Similarity | 0.7136 | NPC228331 |
Intermediate Similarity | 0.7136 | NPC319128 |
Intermediate Similarity | 0.713 | NPC327769 |
Intermediate Similarity | 0.7124 | NPC473506 |
Intermediate Similarity | 0.7118 | NPC30456 |
Intermediate Similarity | 0.7117 | NPC294579 |
Intermediate Similarity | 0.7117 | NPC144779 |
Intermediate Similarity | 0.7104 | NPC477910 |
Intermediate Similarity | 0.7098 | NPC477912 |
Intermediate Similarity | 0.7097 | NPC470190 |
Intermediate Similarity | 0.7089 | NPC470279 |
Intermediate Similarity | 0.7083 | NPC309498 |
Intermediate Similarity | 0.7082 | NPC253482 |
Intermediate Similarity | 0.708 | NPC477902 |
Intermediate Similarity | 0.708 | NPC477900 |
Intermediate Similarity | 0.708 | NPC477899 |
Intermediate Similarity | 0.708 | NPC26881 |
Intermediate Similarity | 0.7067 | NPC127720 |
Intermediate Similarity | 0.7067 | NPC127026 |
Intermediate Similarity | 0.7067 | NPC477911 |
Intermediate Similarity | 0.7048 | NPC103230 |
Intermediate Similarity | 0.7045 | NPC118940 |
Intermediate Similarity | 0.7045 | NPC318299 |
Intermediate Similarity | 0.704 | NPC187494 |
Intermediate Similarity | 0.704 | NPC319556 |
Intermediate Similarity | 0.7037 | NPC159630 |
Intermediate Similarity | 0.7037 | NPC230085 |
Intermediate Similarity | 0.7035 | NPC471980 |
Intermediate Similarity | 0.7018 | NPC124029 |
Intermediate Similarity | 0.7018 | NPC211920 |
Intermediate Similarity | 0.7014 | NPC317752 |
Intermediate Similarity | 0.701 | NPC263455 |
Intermediate Similarity | 0.7004 | NPC328154 |
Intermediate Similarity | 0.7 | NPC40919 |
Intermediate Similarity | 0.7 | NPC470189 |
Remote Similarity | 0.6992 | NPC475648 |
Remote Similarity | 0.6986 | NPC469489 |
Remote Similarity | 0.6983 | NPC35208 |
Remote Similarity | 0.6983 | NPC170751 |
Remote Similarity | 0.6983 | NPC475426 |
Remote Similarity | 0.6974 | NPC148860 |
Remote Similarity | 0.6965 | NPC273532 |
Remote Similarity | 0.6959 | NPC327592 |
Remote Similarity | 0.6959 | NPC473239 |
Remote Similarity | 0.6957 | NPC91125 |
Remote Similarity | 0.6955 | NPC123839 |
Remote Similarity | 0.6951 | NPC193361 |
Remote Similarity | 0.6951 | NPC207531 |
Remote Similarity | 0.6951 | NPC62844 |
Remote Similarity | 0.6948 | NPC272483 |
Remote Similarity | 0.6943 | NPC285411 |
Remote Similarity | 0.6943 | NPC14116 |
Remote Similarity | 0.6927 | NPC314855 |
Remote Similarity | 0.6927 | NPC315638 |
Remote Similarity | 0.6927 | NPC313345 |
Remote Similarity | 0.6927 | NPC317373 |
Remote Similarity | 0.6927 | NPC313796 |
Remote Similarity | 0.6926 | NPC477906 |
Remote Similarity | 0.6916 | NPC474916 |
Remote Similarity | 0.6913 | NPC311196 |
Remote Similarity | 0.6913 | NPC134384 |
Remote Similarity | 0.6911 | NPC167400 |
Remote Similarity | 0.69 | NPC41717 |
Remote Similarity | 0.6895 | NPC475835 |
Remote Similarity | 0.6895 | NPC314297 |
Remote Similarity | 0.6895 | NPC315545 |
Remote Similarity | 0.6878 | NPC470020 |
Remote Similarity | 0.6878 | NPC164340 |
Remote Similarity | 0.687 | NPC475601 |
Remote Similarity | 0.6866 | NPC70949 |
Remote Similarity | 0.6864 | NPC266249 |
Remote Similarity | 0.6856 | NPC233727 |
Remote Similarity | 0.6853 | NPC150698 |
Remote Similarity | 0.6853 | NPC96801 |
Remote Similarity | 0.6842 | NPC160381 |
Remote Similarity | 0.6837 | NPC324245 |
Remote Similarity | 0.6837 | NPC320748 |
Remote Similarity | 0.6825 | NPC83111 |
Remote Similarity | 0.6824 | NPC213143 |
Remote Similarity | 0.6822 | NPC245916 |
Remote Similarity | 0.6802 | NPC309845 |
Remote Similarity | 0.6802 | NPC314834 |
Remote Similarity | 0.6791 | NPC90229 |
Remote Similarity | 0.6789 | NPC328318 |
Remote Similarity | 0.6789 | NPC328596 |
Remote Similarity | 0.6789 | NPC57398 |
Remote Similarity | 0.6786 | NPC312860 |
Remote Similarity | 0.6782 | NPC470894 |
Remote Similarity | 0.6774 | NPC79223 |
Remote Similarity | 0.6773 | NPC82053 |
Remote Similarity | 0.6773 | NPC238457 |
Remote Similarity | 0.6762 | NPC194040 |
Remote Similarity | 0.6761 | NPC55493 |
Remote Similarity | 0.6758 | NPC317572 |
Remote Similarity | 0.6757 | NPC472070 |
Remote Similarity | 0.6752 | NPC469748 |
Remote Similarity | 0.6743 | NPC328559 |
Remote Similarity | 0.6743 | NPC32451 |
Remote Similarity | 0.6741 | NPC292517 |
Remote Similarity | 0.6735 | NPC85879 |
Remote Similarity | 0.6735 | NPC53255 |
Remote Similarity | 0.673 | NPC278434 |
Remote Similarity | 0.6727 | NPC314648 |
Remote Similarity | 0.6726 | NPC36405 |
Remote Similarity | 0.6714 | NPC114974 |
Remote Similarity | 0.6713 | NPC329024 |
Remote Similarity | 0.6711 | NPC236668 |
Remote Similarity | 0.6707 | NPC13603 |
Remote Similarity | 0.6698 | NPC255909 |
Remote Similarity | 0.6684 | NPC471323 |
Remote Similarity | 0.6682 | NPC67288 |
Remote Similarity | 0.6682 | NPC118084 |
Remote Similarity | 0.6681 | NPC146976 |
Remote Similarity | 0.6667 | NPC156044 |
Remote Similarity | 0.6667 | NPC193238 |
TTD   | DAP000462 |
DrugBank   | DB00799 |
ChEMBL   | CHEMBL1657 |
IUPHAR/BPS   | 6952 |
PharmaGKB   | PA164746821 |
KEGG Drug   | D01132 |
PubChem CID   | 5381 |
ChEBI   | 32184 |
CAS Number   | 118292-40-3 |
Molecular Weight   | 351.13 |
ALogP   | 2.624 |
MLogP   | 3.33 |
XLogP   | 6.215 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 6 |
TPSA   | 64.49 |
RO5 Violation   | 1 |