Drug ID:   | NPD594 |
Drug Name:   | Mexiletine |
Molecular Formula:   | C11H17NO |
Canonical SMILES:   | CC(COc1c(C)cccc1C)N |
Standard InCHI:   | InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3 |
Standard InCHIKey:   | VLPIATFUUWWMKC-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 |
---|---|---|
High Similarity | 0.875 | NPC26524 |
Intermediate Similarity | 0.8378 | NPC186469 |
Intermediate Similarity | 0.8304 | NPC97811 |
Intermediate Similarity | 0.8279 | NPC141739 |
Intermediate Similarity | 0.8279 | NPC136112 |
Intermediate Similarity | 0.8087 | NPC21890 |
Intermediate Similarity | 0.8036 | NPC42383 |
Intermediate Similarity | 0.7984 | NPC320242 |
Intermediate Similarity | 0.7982 | NPC95755 |
Intermediate Similarity | 0.7818 | NPC313918 |
Intermediate Similarity | 0.7807 | NPC326801 |
Intermediate Similarity | 0.7805 | NPC211992 |
Intermediate Similarity | 0.7748 | NPC471576 |
Intermediate Similarity | 0.768 | NPC328267 |
Intermediate Similarity | 0.7647 | NPC90903 |
Intermediate Similarity | 0.7632 | NPC38079 |
Intermediate Similarity | 0.7632 | NPC108875 |
Intermediate Similarity | 0.7615 | NPC97870 |
Intermediate Similarity | 0.7615 | NPC247018 |
Intermediate Similarity | 0.7615 | NPC307123 |
Intermediate Similarity | 0.7611 | NPC51633 |
Intermediate Similarity | 0.7594 | NPC318591 |
Intermediate Similarity | 0.7594 | NPC231163 |
Intermediate Similarity | 0.7586 | NPC194034 |
Intermediate Similarity | 0.7583 | NPC161696 |
Intermediate Similarity | 0.7565 | NPC470393 |
Intermediate Similarity | 0.7565 | NPC473855 |
Intermediate Similarity | 0.7544 | NPC12870 |
Intermediate Similarity | 0.7544 | NPC192596 |
Intermediate Similarity | 0.7544 | NPC24327 |
Intermediate Similarity | 0.754 | NPC255253 |
Intermediate Similarity | 0.7523 | NPC321956 |
Intermediate Similarity | 0.75 | NPC177844 |
Intermediate Similarity | 0.75 | NPC259134 |
Intermediate Similarity | 0.75 | NPC8002 |
Intermediate Similarity | 0.75 | NPC470161 |
Intermediate Similarity | 0.75 | NPC99886 |
Intermediate Similarity | 0.7456 | NPC84325 |
Intermediate Similarity | 0.7431 | NPC71853 |
Intermediate Similarity | 0.7414 | NPC475269 |
Intermediate Similarity | 0.7398 | NPC120075 |
Intermediate Similarity | 0.7395 | NPC473809 |
Intermediate Similarity | 0.7387 | NPC471581 |
Intermediate Similarity | 0.7377 | NPC473718 |
Intermediate Similarity | 0.735 | NPC176971 |
Intermediate Similarity | 0.7328 | NPC283546 |
Intermediate Similarity | 0.7311 | NPC149545 |
Intermediate Similarity | 0.7311 | NPC24777 |
Intermediate Similarity | 0.7288 | NPC157473 |
Intermediate Similarity | 0.7288 | NPC258171 |
Intermediate Similarity | 0.7288 | NPC151530 |
Intermediate Similarity | 0.7281 | NPC100870 |
Intermediate Similarity | 0.728 | NPC256369 |
Intermediate Similarity | 0.728 | NPC32152 |
Intermediate Similarity | 0.7273 | NPC199462 |
Intermediate Similarity | 0.7273 | NPC280760 |
Intermediate Similarity | 0.7265 | NPC8302 |
Intermediate Similarity | 0.7265 | NPC128730 |
Intermediate Similarity | 0.7258 | NPC183154 |
Intermediate Similarity | 0.7258 | NPC142042 |
Intermediate Similarity | 0.7258 | NPC263754 |
Intermediate Similarity | 0.7252 | NPC283079 |
Intermediate Similarity | 0.725 | NPC106141 |
Intermediate Similarity | 0.7227 | NPC291837 |
Intermediate Similarity | 0.7227 | NPC146530 |
Intermediate Similarity | 0.7227 | NPC309982 |
Intermediate Similarity | 0.7222 | NPC263835 |
Intermediate Similarity | 0.7222 | NPC474131 |
Intermediate Similarity | 0.7222 | NPC232295 |
Intermediate Similarity | 0.7217 | NPC107101 |
Intermediate Similarity | 0.7217 | NPC316797 |
Intermediate Similarity | 0.7213 | NPC35344 |
Intermediate Similarity | 0.7213 | NPC141003 |
Intermediate Similarity | 0.7209 | NPC272463 |
Intermediate Similarity | 0.7203 | NPC30416 |
Intermediate Similarity | 0.72 | NPC5932 |
Intermediate Similarity | 0.72 | NPC283616 |
Intermediate Similarity | 0.719 | NPC166837 |
Intermediate Similarity | 0.719 | NPC470723 |
Intermediate Similarity | 0.7188 | NPC298486 |
Intermediate Similarity | 0.7188 | NPC150026 |
Intermediate Similarity | 0.7177 | NPC69539 |
Intermediate Similarity | 0.7174 | NPC204546 |
Intermediate Similarity | 0.7165 | NPC318357 |
Intermediate Similarity | 0.7165 | NPC212559 |
Intermediate Similarity | 0.7155 | NPC300166 |
Intermediate Similarity | 0.7155 | NPC307425 |
Intermediate Similarity | 0.7143 | NPC172253 |
Intermediate Similarity | 0.7143 | NPC98748 |
Intermediate Similarity | 0.7143 | NPC59561 |
Intermediate Similarity | 0.7143 | NPC233320 |
Intermediate Similarity | 0.7131 | NPC98372 |
Intermediate Similarity | 0.7131 | NPC474920 |
Intermediate Similarity | 0.712 | NPC238176 |
Intermediate Similarity | 0.712 | NPC187993 |
Intermediate Similarity | 0.7119 | NPC473393 |
Intermediate Similarity | 0.7119 | NPC238115 |
Intermediate Similarity | 0.7119 | NPC139891 |
Intermediate Similarity | 0.7119 | NPC227255 |
Intermediate Similarity | 0.7107 | NPC95977 |
Intermediate Similarity | 0.7107 | NPC46844 |
Intermediate Similarity | 0.7107 | NPC25067 |
Intermediate Similarity | 0.7107 | NPC88868 |
Intermediate Similarity | 0.7107 | NPC231251 |
Intermediate Similarity | 0.7097 | NPC283169 |
Intermediate Similarity | 0.7094 | NPC305205 |
Intermediate Similarity | 0.7094 | NPC179686 |
Intermediate Similarity | 0.709 | NPC470392 |
Intermediate Similarity | 0.709 | NPC471953 |
Intermediate Similarity | 0.709 | NPC274732 |
Intermediate Similarity | 0.7083 | NPC241549 |
Intermediate Similarity | 0.7077 | NPC134195 |
Intermediate Similarity | 0.7077 | NPC106914 |
Intermediate Similarity | 0.7077 | NPC86502 |
Intermediate Similarity | 0.7077 | NPC246648 |
Intermediate Similarity | 0.7077 | NPC197351 |
Intermediate Similarity | 0.7069 | NPC13755 |
Intermediate Similarity | 0.7059 | NPC113457 |
Intermediate Similarity | 0.7059 | NPC326447 |
Intermediate Similarity | 0.7054 | NPC46586 |
Intermediate Similarity | 0.7054 | NPC204535 |
Intermediate Similarity | 0.7054 | NPC96286 |
Intermediate Similarity | 0.7054 | NPC248429 |
Intermediate Similarity | 0.7049 | NPC55300 |
Intermediate Similarity | 0.7049 | NPC275627 |
Intermediate Similarity | 0.7045 | NPC291847 |
Intermediate Similarity | 0.7043 | NPC108606 |
Intermediate Similarity | 0.7043 | NPC290515 |
Intermediate Similarity | 0.7043 | NPC226096 |
Intermediate Similarity | 0.7043 | NPC175298 |
Intermediate Similarity | 0.7043 | NPC303611 |
Intermediate Similarity | 0.7043 | NPC164514 |
Intermediate Similarity | 0.704 | NPC312105 |
Intermediate Similarity | 0.704 | NPC290470 |
Intermediate Similarity | 0.704 | NPC154256 |
Intermediate Similarity | 0.7031 | NPC322569 |
Intermediate Similarity | 0.7025 | NPC474272 |
Intermediate Similarity | 0.7023 | NPC81641 |
Intermediate Similarity | 0.7023 | NPC102540 |
Intermediate Similarity | 0.7023 | NPC103420 |
Intermediate Similarity | 0.7023 | NPC285040 |
Intermediate Similarity | 0.7023 | NPC188022 |
Intermediate Similarity | 0.7023 | NPC17809 |
Intermediate Similarity | 0.7023 | NPC470858 |
Intermediate Similarity | 0.7016 | NPC87563 |
Intermediate Similarity | 0.7008 | NPC43435 |
Intermediate Similarity | 0.7 | NPC11799 |
Intermediate Similarity | 0.7 | NPC211218 |
Intermediate Similarity | 0.7 | NPC141252 |
Intermediate Similarity | 0.7 | NPC474130 |
Intermediate Similarity | 0.7 | NPC472518 |
Intermediate Similarity | 0.7 | NPC109675 |
Intermediate Similarity | 0.7 | NPC273772 |
Intermediate Similarity | 0.7 | NPC13020 |
Intermediate Similarity | 0.7 | NPC140359 |
Remote Similarity | 0.6992 | NPC115379 |
Remote Similarity | 0.6992 | NPC165646 |
Remote Similarity | 0.6984 | NPC25648 |
Remote Similarity | 0.6983 | NPC128723 |
Remote Similarity | 0.6977 | NPC475839 |
Remote Similarity | 0.697 | NPC276212 |
Remote Similarity | 0.696 | NPC303370 |
Remote Similarity | 0.696 | NPC301321 |
Remote Similarity | 0.6953 | NPC168050 |
Remote Similarity | 0.6953 | NPC193193 |
Remote Similarity | 0.6953 | NPC31314 |
Remote Similarity | 0.6953 | NPC321133 |
Remote Similarity | 0.6949 | NPC298224 |
Remote Similarity | 0.6947 | NPC147896 |
Remote Similarity | 0.6947 | NPC276962 |
Remote Similarity | 0.6947 | NPC201667 |
Remote Similarity | 0.6947 | NPC73413 |
Remote Similarity | 0.6947 | NPC27671 |
Remote Similarity | 0.6947 | NPC105513 |
Remote Similarity | 0.6947 | NPC190086 |
Remote Similarity | 0.6942 | NPC75440 |
Remote Similarity | 0.693 | NPC289769 |
Remote Similarity | 0.6929 | NPC131118 |
Remote Similarity | 0.6929 | NPC152159 |
Remote Similarity | 0.6923 | NPC188997 |
Remote Similarity | 0.6923 | NPC36016 |
Remote Similarity | 0.6923 | NPC100099 |
Remote Similarity | 0.6917 | NPC98745 |
Remote Similarity | 0.6917 | NPC469386 |
Remote Similarity | 0.6917 | NPC473993 |
Remote Similarity | 0.6917 | NPC149796 |
Remote Similarity | 0.6911 | NPC233238 |
Remote Similarity | 0.6905 | NPC33717 |
Remote Similarity | 0.6905 | NPC128633 |
Remote Similarity | 0.6905 | NPC258992 |
Remote Similarity | 0.6903 | NPC204210 |
Remote Similarity | 0.6899 | NPC235190 |
Remote Similarity | 0.6899 | NPC131868 |
Remote Similarity | 0.6899 | NPC180006 |
Remote Similarity | 0.6899 | NPC45663 |
Remote Similarity | 0.6899 | NPC163200 |
Remote Similarity | 0.6899 | NPC473875 |
Remote Similarity | 0.6899 | NPC475529 |
Remote Similarity | 0.6891 | NPC241224 |
Remote Similarity | 0.6891 | NPC109637 |
Molecular Weight   | 179.13 |
ALogP   | 0.3925 |
MLogP   | 2.45 |
XLogP   | 2.471 |
HDA   | 1 |
HBD   | 1 |
Rotatable Bonds   | 7 |
TPSA   | 35.25 |
RO5 Violation   | 0 |