Drug ID:   | NPD1631 |
Drug Name:   | Tolmetin |
Molecular Formula:   | C15H15NO3 |
Canonical SMILES:   | OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C |
Standard InCHI:   | InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18) |
Standard InCHIKey:   | UPSPUYADGBWSHF-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 | 0.7977 | NPC159125 |
Intermediate Similarity | 0.7964 | NPC41717 |
Intermediate Similarity | 0.7831 | NPC322644 |
Intermediate Similarity | 0.7829 | NPC207851 |
Intermediate Similarity | 0.7784 | NPC241025 |
Intermediate Similarity | 0.7784 | NPC295158 |
Intermediate Similarity | 0.773 | NPC57398 |
Intermediate Similarity | 0.7722 | NPC472292 |
Intermediate Similarity | 0.7692 | NPC472293 |
Intermediate Similarity | 0.768 | NPC472295 |
Intermediate Similarity | 0.768 | NPC269886 |
Intermediate Similarity | 0.768 | NPC247735 |
Intermediate Similarity | 0.768 | NPC81802 |
Intermediate Similarity | 0.768 | NPC472210 |
Intermediate Similarity | 0.7676 | NPC471944 |
Intermediate Similarity | 0.7609 | NPC472284 |
Intermediate Similarity | 0.7602 | NPC470894 |
Intermediate Similarity | 0.7602 | NPC70949 |
Intermediate Similarity | 0.7598 | NPC278434 |
Intermediate Similarity | 0.7596 | NPC472116 |
Intermediate Similarity | 0.7588 | NPC115232 |
Intermediate Similarity | 0.7584 | NPC282103 |
Intermediate Similarity | 0.7568 | NPC472297 |
Intermediate Similarity | 0.7568 | NPC472296 |
Intermediate Similarity | 0.756 | NPC80681 |
Intermediate Similarity | 0.7543 | NPC111275 |
Intermediate Similarity | 0.7514 | NPC83111 |
Intermediate Similarity | 0.7514 | NPC474916 |
Intermediate Similarity | 0.75 | NPC472323 |
Intermediate Similarity | 0.75 | NPC55772 |
Intermediate Similarity | 0.75 | NPC85443 |
Intermediate Similarity | 0.75 | NPC206186 |
Intermediate Similarity | 0.7473 | NPC81535 |
Intermediate Similarity | 0.747 | NPC217021 |
Intermediate Similarity | 0.747 | NPC470679 |
Intermediate Similarity | 0.7459 | NPC141454 |
Intermediate Similarity | 0.7458 | NPC15840 |
Intermediate Similarity | 0.7446 | NPC202812 |
Intermediate Similarity | 0.743 | NPC285923 |
Intermediate Similarity | 0.7429 | NPC469529 |
Intermediate Similarity | 0.7421 | NPC472287 |
Intermediate Similarity | 0.7421 | NPC472286 |
Intermediate Similarity | 0.7418 | NPC154339 |
Intermediate Similarity | 0.7416 | NPC113626 |
Intermediate Similarity | 0.7414 | NPC273532 |
Intermediate Similarity | 0.7407 | NPC165599 |
Intermediate Similarity | 0.7401 | NPC248041 |
Intermediate Similarity | 0.7401 | NPC219336 |
Intermediate Similarity | 0.7401 | NPC126709 |
Intermediate Similarity | 0.7399 | NPC78020 |
Intermediate Similarity | 0.7391 | NPC267343 |
Intermediate Similarity | 0.7386 | NPC267885 |
Intermediate Similarity | 0.7377 | NPC138370 |
Intermediate Similarity | 0.736 | NPC73994 |
Intermediate Similarity | 0.7345 | NPC183662 |
Intermediate Similarity | 0.7345 | NPC15573 |
Intermediate Similarity | 0.7345 | NPC217372 |
Intermediate Similarity | 0.7341 | NPC114637 |
Intermediate Similarity | 0.7333 | NPC46895 |
Intermediate Similarity | 0.733 | NPC469938 |
Intermediate Similarity | 0.733 | NPC149155 |
Intermediate Similarity | 0.733 | NPC203468 |
Intermediate Similarity | 0.733 | NPC110500 |
Intermediate Similarity | 0.733 | NPC139763 |
Intermediate Similarity | 0.7305 | NPC473878 |
Intermediate Similarity | 0.7303 | NPC283219 |
Intermediate Similarity | 0.7289 | NPC100726 |
Intermediate Similarity | 0.7288 | NPC151635 |
Intermediate Similarity | 0.7283 | NPC71132 |
Intermediate Similarity | 0.7278 | NPC243058 |
Intermediate Similarity | 0.7278 | NPC143533 |
Intermediate Similarity | 0.7273 | NPC78767 |
Intermediate Similarity | 0.7273 | NPC473814 |
Intermediate Similarity | 0.7268 | NPC221873 |
Intermediate Similarity | 0.7267 | NPC242116 |
Intermediate Similarity | 0.7267 | NPC214106 |
Intermediate Similarity | 0.7263 | NPC61011 |
Intermediate Similarity | 0.7258 | NPC93390 |
Intermediate Similarity | 0.7253 | NPC160381 |
Intermediate Similarity | 0.7247 | NPC219848 |
Intermediate Similarity | 0.7247 | NPC234987 |
Intermediate Similarity | 0.7247 | NPC84827 |
Intermediate Similarity | 0.7247 | NPC145885 |
Intermediate Similarity | 0.7247 | NPC14113 |
Intermediate Similarity | 0.7238 | NPC258480 |
Intermediate Similarity | 0.7238 | NPC203635 |
Intermediate Similarity | 0.7232 | NPC303225 |
Intermediate Similarity | 0.7229 | NPC302159 |
Intermediate Similarity | 0.7225 | NPC265100 |
Intermediate Similarity | 0.7219 | NPC312860 |
Intermediate Similarity | 0.7207 | NPC248462 |
Intermediate Similarity | 0.7207 | NPC256268 |
Intermediate Similarity | 0.7202 | NPC244741 |
Intermediate Similarity | 0.7196 | NPC123395 |
Intermediate Similarity | 0.7195 | NPC101130 |
Intermediate Similarity | 0.7195 | NPC114033 |
Intermediate Similarity | 0.7195 | NPC129412 |
Intermediate Similarity | 0.7195 | NPC58268 |
Intermediate Similarity | 0.7191 | NPC84347 |
Intermediate Similarity | 0.7188 | NPC132539 |
Intermediate Similarity | 0.7188 | NPC477043 |
Intermediate Similarity | 0.7175 | NPC252572 |
Intermediate Similarity | 0.7175 | NPC191310 |
Intermediate Similarity | 0.7175 | NPC477976 |
Intermediate Similarity | 0.7166 | NPC289299 |
Intermediate Similarity | 0.7166 | NPC57994 |
Intermediate Similarity | 0.716 | NPC472288 |
Intermediate Similarity | 0.716 | NPC70406 |
Intermediate Similarity | 0.716 | NPC472260 |
Intermediate Similarity | 0.7158 | NPC315555 |
Intermediate Similarity | 0.7158 | NPC235684 |
Intermediate Similarity | 0.7158 | NPC90415 |
Intermediate Similarity | 0.7151 | NPC67551 |
Intermediate Similarity | 0.7151 | NPC83774 |
Intermediate Similarity | 0.7143 | NPC477041 |
Intermediate Similarity | 0.7143 | NPC477003 |
Intermediate Similarity | 0.7143 | NPC477044 |
Intermediate Similarity | 0.7143 | NPC472119 |
Intermediate Similarity | 0.7135 | NPC144381 |
Intermediate Similarity | 0.7128 | NPC79356 |
Intermediate Similarity | 0.7128 | NPC102592 |
Intermediate Similarity | 0.7125 | NPC322488 |
Intermediate Similarity | 0.7118 | NPC281094 |
Intermediate Similarity | 0.7118 | NPC251391 |
Intermediate Similarity | 0.7117 | NPC472243 |
Intermediate Similarity | 0.7113 | NPC321428 |
Intermediate Similarity | 0.7112 | NPC230403 |
Intermediate Similarity | 0.7111 | NPC213468 |
Intermediate Similarity | 0.711 | NPC100104 |
Intermediate Similarity | 0.711 | NPC470680 |
Intermediate Similarity | 0.7108 | NPC159630 |
Intermediate Similarity | 0.7108 | NPC230085 |
Intermediate Similarity | 0.7104 | NPC133003 |
Intermediate Similarity | 0.7098 | NPC472259 |
Intermediate Similarity | 0.709 | NPC90229 |
Intermediate Similarity | 0.7089 | NPC314431 |
Intermediate Similarity | 0.7081 | NPC209917 |
Intermediate Similarity | 0.7076 | NPC263455 |
Intermediate Similarity | 0.7072 | NPC477042 |
Intermediate Similarity | 0.7072 | NPC469896 |
Intermediate Similarity | 0.7071 | NPC89508 |
Intermediate Similarity | 0.7066 | NPC167400 |
Intermediate Similarity | 0.7065 | NPC194040 |
Intermediate Similarity | 0.7065 | NPC66210 |
Intermediate Similarity | 0.7062 | NPC471943 |
Intermediate Similarity | 0.7059 | NPC109158 |
Intermediate Similarity | 0.7056 | NPC157583 |
Intermediate Similarity | 0.7056 | NPC82370 |
Intermediate Similarity | 0.7056 | NPC284775 |
Intermediate Similarity | 0.7056 | NPC64436 |
Intermediate Similarity | 0.7056 | NPC146418 |
Intermediate Similarity | 0.7053 | NPC248782 |
Intermediate Similarity | 0.7053 | NPC102008 |
Intermediate Similarity | 0.705 | NPC472285 |
Intermediate Similarity | 0.7043 | NPC469489 |
Intermediate Similarity | 0.7043 | NPC329858 |
Intermediate Similarity | 0.7043 | NPC314333 |
Intermediate Similarity | 0.7043 | NPC324091 |
Intermediate Similarity | 0.7037 | NPC245916 |
Intermediate Similarity | 0.7033 | NPC191415 |
Intermediate Similarity | 0.7031 | NPC98864 |
Intermediate Similarity | 0.703 | NPC238499 |
Intermediate Similarity | 0.7022 | NPC249614 |
Intermediate Similarity | 0.7021 | NPC473821 |
Intermediate Similarity | 0.7017 | NPC164340 |
Intermediate Similarity | 0.7016 | NPC477045 |
Intermediate Similarity | 0.7011 | NPC476423 |
Intermediate Similarity | 0.701 | NPC229893 |
Intermediate Similarity | 0.7 | NPC313889 |
Intermediate Similarity | 0.7 | NPC74153 |
Intermediate Similarity | 0.7 | NPC227582 |
Remote Similarity | 0.6995 | NPC328318 |
Remote Similarity | 0.6995 | NPC328596 |
Remote Similarity | 0.6994 | NPC200397 |
Remote Similarity | 0.6994 | NPC98156 |
Remote Similarity | 0.6994 | NPC138596 |
Remote Similarity | 0.6994 | NPC64661 |
Remote Similarity | 0.6994 | NPC195704 |
Remote Similarity | 0.6994 | NPC167200 |
Remote Similarity | 0.6994 | NPC76982 |
Remote Similarity | 0.6994 | NPC292434 |
Remote Similarity | 0.6994 | NPC14448 |
Remote Similarity | 0.699 | NPC266249 |
Remote Similarity | 0.699 | NPC39679 |
Remote Similarity | 0.6989 | NPC175474 |
Remote Similarity | 0.6989 | NPC183805 |
Remote Similarity | 0.6985 | NPC472291 |
Remote Similarity | 0.6982 | NPC300596 |
Remote Similarity | 0.6982 | NPC237649 |
Remote Similarity | 0.6978 | NPC471997 |
Remote Similarity | 0.6977 | NPC209362 |
Remote Similarity | 0.6973 | NPC62749 |
Remote Similarity | 0.6973 | NPC118084 |
Remote Similarity | 0.6973 | NPC478077 |
Remote Similarity | 0.6968 | NPC55493 |
Remote Similarity | 0.6965 | NPC312645 |
Remote Similarity | 0.6964 | NPC478039 |
Remote Similarity | 0.6964 | NPC467188 |
Remote Similarity | 0.6963 | NPC306376 |
Remote Similarity | 0.6963 | NPC149708 |
Molecular Weight   | 257.11 |
ALogP   | 0.2887 |
MLogP   | 2.67 |
XLogP   | 3.634 |
HDA   | 4 |
HBD   | 1 |
Rotatable Bonds   | 7 |
TPSA   | 59.3 |
RO5 Violation   | 0 |