Drug ID:   | NPD1630 |
Drug Name:   | Tolmetin Sodium |
Molecular Formula:   | C15H15NO3.Na |
Canonical SMILES:   | [O-]C(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C.[Na+] |
Standard InCHI:   | InChI=1S/C15H15NO3.Na/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);/q;+1/p-1 |
Standard InCHIKey:   | QGUALMNFRILWRA-UHFFFAOYSA-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 |
---|---|---|
Intermediate Similarity | 0.7853 | NPC472292 |
Intermediate Similarity | 0.7821 | NPC472293 |
Intermediate Similarity | 0.7809 | NPC269886 |
Intermediate Similarity | 0.7809 | NPC81802 |
Intermediate Similarity | 0.7809 | NPC472210 |
Intermediate Similarity | 0.7809 | NPC247735 |
Intermediate Similarity | 0.7809 | NPC472295 |
Intermediate Similarity | 0.7803 | NPC159125 |
Intermediate Similarity | 0.7784 | NPC41717 |
Intermediate Similarity | 0.7738 | NPC470894 |
Intermediate Similarity | 0.7738 | NPC70949 |
Intermediate Similarity | 0.7725 | NPC115232 |
Intermediate Similarity | 0.7722 | NPC472116 |
Intermediate Similarity | 0.7714 | NPC282103 |
Intermediate Similarity | 0.7697 | NPC80681 |
Intermediate Similarity | 0.7692 | NPC472297 |
Intermediate Similarity | 0.7692 | NPC472296 |
Intermediate Similarity | 0.7657 | NPC207851 |
Intermediate Similarity | 0.7651 | NPC322644 |
Intermediate Similarity | 0.7614 | NPC295158 |
Intermediate Similarity | 0.7614 | NPC241025 |
Intermediate Similarity | 0.7607 | NPC217021 |
Intermediate Similarity | 0.7607 | NPC470679 |
Intermediate Similarity | 0.7596 | NPC81535 |
Intermediate Similarity | 0.7568 | NPC57398 |
Intermediate Similarity | 0.7558 | NPC469529 |
Intermediate Similarity | 0.7514 | NPC471944 |
Intermediate Similarity | 0.75 | NPC138370 |
Intermediate Similarity | 0.7486 | NPC73994 |
Intermediate Similarity | 0.7471 | NPC114637 |
Intermediate Similarity | 0.7458 | NPC46895 |
Intermediate Similarity | 0.7446 | NPC472284 |
Intermediate Similarity | 0.7439 | NPC473878 |
Intermediate Similarity | 0.743 | NPC278434 |
Intermediate Similarity | 0.7423 | NPC100726 |
Intermediate Similarity | 0.7414 | NPC151635 |
Intermediate Similarity | 0.7412 | NPC71132 |
Intermediate Similarity | 0.7401 | NPC143533 |
Intermediate Similarity | 0.7396 | NPC242116 |
Intermediate Similarity | 0.7396 | NPC214106 |
Intermediate Similarity | 0.7386 | NPC61011 |
Intermediate Similarity | 0.7374 | NPC160381 |
Intermediate Similarity | 0.7371 | NPC145885 |
Intermediate Similarity | 0.7371 | NPC14113 |
Intermediate Similarity | 0.7371 | NPC111275 |
Intermediate Similarity | 0.7371 | NPC84827 |
Intermediate Similarity | 0.7371 | NPC234987 |
Intermediate Similarity | 0.736 | NPC258480 |
Intermediate Similarity | 0.7353 | NPC265100 |
Intermediate Similarity | 0.7351 | NPC474916 |
Intermediate Similarity | 0.7348 | NPC83111 |
Intermediate Similarity | 0.7333 | NPC206186 |
Intermediate Similarity | 0.7333 | NPC472323 |
Intermediate Similarity | 0.733 | NPC55772 |
Intermediate Similarity | 0.7329 | NPC58268 |
Intermediate Similarity | 0.7329 | NPC114033 |
Intermediate Similarity | 0.7329 | NPC101130 |
Intermediate Similarity | 0.7329 | NPC129412 |
Intermediate Similarity | 0.7314 | NPC84347 |
Intermediate Similarity | 0.7312 | NPC85443 |
Intermediate Similarity | 0.7312 | NPC123395 |
Intermediate Similarity | 0.7302 | NPC132539 |
Intermediate Similarity | 0.7299 | NPC191310 |
Intermediate Similarity | 0.7299 | NPC252572 |
Intermediate Similarity | 0.7297 | NPC141454 |
Intermediate Similarity | 0.7289 | NPC70406 |
Intermediate Similarity | 0.7289 | NPC472260 |
Intermediate Similarity | 0.7288 | NPC15840 |
Intermediate Similarity | 0.7283 | NPC202812 |
Intermediate Similarity | 0.7273 | NPC83774 |
Intermediate Similarity | 0.7263 | NPC472286 |
Intermediate Similarity | 0.7263 | NPC472287 |
Intermediate Similarity | 0.7263 | NPC285923 |
Intermediate Similarity | 0.7263 | NPC472119 |
Intermediate Similarity | 0.7263 | NPC477003 |
Intermediate Similarity | 0.7253 | NPC154339 |
Intermediate Similarity | 0.7249 | NPC165599 |
Intermediate Similarity | 0.7247 | NPC113626 |
Intermediate Similarity | 0.7246 | NPC251391 |
Intermediate Similarity | 0.7246 | NPC281094 |
Intermediate Similarity | 0.7243 | NPC79356 |
Intermediate Similarity | 0.7243 | NPC102592 |
Intermediate Similarity | 0.7241 | NPC273532 |
Intermediate Similarity | 0.7239 | NPC230085 |
Intermediate Similarity | 0.7239 | NPC159630 |
Intermediate Similarity | 0.7235 | NPC100104 |
Intermediate Similarity | 0.7235 | NPC470680 |
Intermediate Similarity | 0.7232 | NPC248041 |
Intermediate Similarity | 0.7232 | NPC126709 |
Intermediate Similarity | 0.7232 | NPC219336 |
Intermediate Similarity | 0.7228 | NPC267343 |
Intermediate Similarity | 0.7225 | NPC78020 |
Intermediate Similarity | 0.7222 | NPC133003 |
Intermediate Similarity | 0.7216 | NPC267885 |
Intermediate Similarity | 0.7191 | NPC477042 |
Intermediate Similarity | 0.7191 | NPC469896 |
Intermediate Similarity | 0.7184 | NPC471943 |
Intermediate Similarity | 0.7182 | NPC66210 |
Intermediate Similarity | 0.7175 | NPC15573 |
Intermediate Similarity | 0.7175 | NPC183662 |
Intermediate Similarity | 0.7175 | NPC217372 |
Intermediate Similarity | 0.7175 | NPC284775 |
Intermediate Similarity | 0.7165 | NPC146418 |
Intermediate Similarity | 0.716 | NPC238499 |
Intermediate Similarity | 0.7159 | NPC110500 |
Intermediate Similarity | 0.7159 | NPC469938 |
Intermediate Similarity | 0.7159 | NPC149155 |
Intermediate Similarity | 0.7159 | NPC139763 |
Intermediate Similarity | 0.7159 | NPC203468 |
Intermediate Similarity | 0.7158 | NPC324091 |
Intermediate Similarity | 0.7158 | NPC314333 |
Intermediate Similarity | 0.7158 | NPC469489 |
Intermediate Similarity | 0.7158 | NPC329858 |
Intermediate Similarity | 0.7151 | NPC191415 |
Intermediate Similarity | 0.7151 | NPC245916 |
Intermediate Similarity | 0.7143 | NPC312860 |
Intermediate Similarity | 0.7143 | NPC249614 |
Intermediate Similarity | 0.7135 | NPC283219 |
Intermediate Similarity | 0.7126 | NPC313889 |
Intermediate Similarity | 0.7125 | NPC292434 |
Intermediate Similarity | 0.7125 | NPC64661 |
Intermediate Similarity | 0.7125 | NPC195704 |
Intermediate Similarity | 0.7125 | NPC167200 |
Intermediate Similarity | 0.7125 | NPC14448 |
Intermediate Similarity | 0.7125 | NPC138596 |
Intermediate Similarity | 0.7125 | NPC200397 |
Intermediate Similarity | 0.7125 | NPC98156 |
Intermediate Similarity | 0.7118 | NPC76982 |
Intermediate Similarity | 0.7112 | NPC473814 |
Intermediate Similarity | 0.7112 | NPC78767 |
Intermediate Similarity | 0.7111 | NPC243058 |
Intermediate Similarity | 0.7104 | NPC221873 |
Intermediate Similarity | 0.7098 | NPC266249 |
Intermediate Similarity | 0.7097 | NPC93390 |
Intermediate Similarity | 0.7092 | NPC472291 |
Intermediate Similarity | 0.7091 | NPC467188 |
Intermediate Similarity | 0.7088 | NPC118084 |
Intermediate Similarity | 0.7081 | NPC55493 |
Intermediate Similarity | 0.7081 | NPC472288 |
Intermediate Similarity | 0.7079 | NPC219848 |
Intermediate Similarity | 0.7076 | NPC474492 |
Intermediate Similarity | 0.7072 | NPC203635 |
Intermediate Similarity | 0.707 | NPC71236 |
Intermediate Similarity | 0.7066 | NPC123906 |
Intermediate Similarity | 0.7062 | NPC303225 |
Intermediate Similarity | 0.7056 | NPC477979 |
Intermediate Similarity | 0.7048 | NPC302159 |
Intermediate Similarity | 0.7047 | NPC244741 |
Intermediate Similarity | 0.7043 | NPC192306 |
Intermediate Similarity | 0.7041 | NPC118940 |
Intermediate Similarity | 0.7041 | NPC200743 |
Intermediate Similarity | 0.7039 | NPC256268 |
Intermediate Similarity | 0.7039 | NPC248462 |
Intermediate Similarity | 0.7033 | NPC472107 |
Intermediate Similarity | 0.7033 | NPC79062 |
Intermediate Similarity | 0.7031 | NPC477043 |
Intermediate Similarity | 0.7027 | NPC476460 |
Intermediate Similarity | 0.7026 | NPC123839 |
Intermediate Similarity | 0.7024 | NPC471655 |
Intermediate Similarity | 0.7011 | NPC111602 |
Intermediate Similarity | 0.7011 | NPC42372 |
Intermediate Similarity | 0.7011 | NPC196251 |
Intermediate Similarity | 0.7011 | NPC102338 |
Intermediate Similarity | 0.7011 | NPC63199 |
Intermediate Similarity | 0.7006 | NPC477976 |
Intermediate Similarity | 0.7006 | NPC105811 |
Intermediate Similarity | 0.7005 | NPC289299 |
Intermediate Similarity | 0.7005 | NPC57994 |
Intermediate Similarity | 0.7005 | NPC135950 |
Intermediate Similarity | 0.7 | NPC263455 |
Remote Similarity | 0.6995 | NPC82053 |
Remote Similarity | 0.6995 | NPC235684 |
Remote Similarity | 0.6995 | NPC90415 |
Remote Similarity | 0.6995 | NPC315555 |
Remote Similarity | 0.6994 | NPC471574 |
Remote Similarity | 0.6989 | NPC67551 |
Remote Similarity | 0.6984 | NPC477044 |
Remote Similarity | 0.6984 | NPC477041 |
Remote Similarity | 0.6983 | NPC237188 |
Remote Similarity | 0.6983 | NPC157583 |
Remote Similarity | 0.6973 | NPC472112 |
Remote Similarity | 0.6973 | NPC144381 |
Remote Similarity | 0.6966 | NPC293216 |
Remote Similarity | 0.6964 | NPC102664 |
Remote Similarity | 0.6959 | NPC321428 |
Remote Similarity | 0.6957 | NPC291517 |
Remote Similarity | 0.6954 | NPC21174 |
Remote Similarity | 0.6954 | NPC271797 |
Remote Similarity | 0.6952 | NPC230403 |
Remote Similarity | 0.6952 | NPC88315 |
Remote Similarity | 0.6947 | NPC103361 |
Remote Similarity | 0.6944 | NPC213468 |
Remote Similarity | 0.6943 | NPC472259 |
Remote Similarity | 0.6941 | NPC107287 |
Remote Similarity | 0.6937 | NPC322488 |
Remote Similarity | 0.6935 | NPC472097 |
Remote Similarity | 0.6933 | NPC472243 |
Remote Similarity | 0.6931 | NPC106824 |
Remote Similarity | 0.6931 | NPC90229 |
Remote Similarity | 0.6927 | NPC162730 |
Molecular Weight   | 256.10 |
ALogP   | -0.3891 |
MLogP   | 2.67 |
XLogP   | 3.153 |
HDA   | 4 |
HBD   | 0 |
Rotatable Bonds   | 7 |
TPSA   | 62.13 |
RO5 Violation   | 0 |