Drug ID:   | NPD1444 |
Drug Name:   | Tapentadol Hydrochloride |
Molecular Formula:   | C14H23NO.ClH |
Canonical SMILES:   | CC[C@@H](c1cccc(c1)O)[C@H](CN(C)C)C.Cl |
Standard InCHI:   | InChI=1S/C14H23NO.ClH/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12;/h6-9,11,14,16H,5,10H2,1-4H3;1H/t11-,14+;/m0./s1 |
Standard InCHIKey:   | ZELFLGGRLLOERW-YECZQDJWSA-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 |
---|---|---|
High Similarity | 0.8911 | NPC289381 |
High Similarity | 0.8911 | NPC155847 |
High Similarity | 0.8558 | NPC68055 |
High Similarity | 0.8529 | NPC6597 |
High Similarity | 0.8529 | NPC79241 |
High Similarity | 0.85 | NPC55903 |
High Similarity | 0.85 | NPC306884 |
High Similarity | 0.85 | NPC147284 |
High Similarity | 0.85 | NPC94139 |
High Similarity | 0.85 | NPC162314 |
High Similarity | 0.85 | NPC3358 |
High Similarity | 0.85 | NPC210497 |
Intermediate Similarity | 0.8485 | NPC192 |
Intermediate Similarity | 0.8469 | NPC27974 |
Intermediate Similarity | 0.8431 | NPC259512 |
Intermediate Similarity | 0.8431 | NPC312132 |
Intermediate Similarity | 0.84 | NPC304541 |
Intermediate Similarity | 0.8365 | NPC72729 |
Intermediate Similarity | 0.8349 | NPC474149 |
Intermediate Similarity | 0.8333 | NPC222146 |
Intermediate Similarity | 0.8269 | NPC299762 |
Intermediate Similarity | 0.8269 | NPC33675 |
Intermediate Similarity | 0.8235 | NPC76938 |
Intermediate Similarity | 0.8235 | NPC152415 |
Intermediate Similarity | 0.8235 | NPC27323 |
Intermediate Similarity | 0.8235 | NPC245187 |
Intermediate Similarity | 0.8235 | NPC316301 |
Intermediate Similarity | 0.8208 | NPC178902 |
Intermediate Similarity | 0.82 | NPC123273 |
Intermediate Similarity | 0.82 | NPC258219 |
Intermediate Similarity | 0.82 | NPC242240 |
Intermediate Similarity | 0.82 | NPC318325 |
Intermediate Similarity | 0.8173 | NPC474073 |
Intermediate Similarity | 0.8173 | NPC77492 |
Intermediate Similarity | 0.8167 | NPC66177 |
Intermediate Similarity | 0.8167 | NPC268763 |
Intermediate Similarity | 0.8167 | NPC8305 |
Intermediate Similarity | 0.8163 | NPC150837 |
Intermediate Similarity | 0.8158 | NPC137096 |
Intermediate Similarity | 0.8155 | NPC32714 |
Intermediate Similarity | 0.8148 | NPC231705 |
Intermediate Similarity | 0.8131 | NPC475225 |
Intermediate Similarity | 0.8113 | NPC252105 |
Intermediate Similarity | 0.8103 | NPC321133 |
Intermediate Similarity | 0.81 | NPC19680 |
Intermediate Similarity | 0.81 | NPC113460 |
Intermediate Similarity | 0.81 | NPC25493 |
Intermediate Similarity | 0.8095 | NPC125732 |
Intermediate Similarity | 0.8091 | NPC258056 |
Intermediate Similarity | 0.8087 | NPC85276 |
Intermediate Similarity | 0.8073 | NPC142297 |
Intermediate Similarity | 0.8053 | NPC142599 |
Intermediate Similarity | 0.8039 | NPC306074 |
Intermediate Similarity | 0.8039 | NPC231150 |
Intermediate Similarity | 0.8039 | NPC155908 |
Intermediate Similarity | 0.8037 | NPC471228 |
Intermediate Similarity | 0.8037 | NPC235762 |
Intermediate Similarity | 0.8033 | NPC126859 |
Intermediate Similarity | 0.8033 | NPC259665 |
Intermediate Similarity | 0.8033 | NPC89769 |
Intermediate Similarity | 0.802 | NPC177420 |
Intermediate Similarity | 0.802 | NPC280347 |
Intermediate Similarity | 0.8019 | NPC211885 |
Intermediate Similarity | 0.8019 | NPC248396 |
Intermediate Similarity | 0.8019 | NPC129373 |
Intermediate Similarity | 0.8019 | NPC48730 |
Intermediate Similarity | 0.8 | NPC407 |
Intermediate Similarity | 0.8 | NPC225464 |
Intermediate Similarity | 0.8 | NPC23167 |
Intermediate Similarity | 0.8 | NPC307235 |
Intermediate Similarity | 0.8 | NPC152097 |
Intermediate Similarity | 0.7981 | NPC8392 |
Intermediate Similarity | 0.7981 | NPC274678 |
Intermediate Similarity | 0.7963 | NPC475580 |
Intermediate Similarity | 0.7963 | NPC323810 |
Intermediate Similarity | 0.7951 | NPC124802 |
Intermediate Similarity | 0.7944 | NPC12221 |
Intermediate Similarity | 0.7941 | NPC55561 |
Intermediate Similarity | 0.7925 | NPC122005 |
Intermediate Similarity | 0.7925 | NPC92730 |
Intermediate Similarity | 0.7925 | NPC252821 |
Intermediate Similarity | 0.7925 | NPC260775 |
Intermediate Similarity | 0.7909 | NPC66834 |
Intermediate Similarity | 0.7909 | NPC320439 |
Intermediate Similarity | 0.7905 | NPC292730 |
Intermediate Similarity | 0.7905 | NPC216520 |
Intermediate Similarity | 0.7905 | NPC473388 |
Intermediate Similarity | 0.7905 | NPC82664 |
Intermediate Similarity | 0.7905 | NPC132271 |
Intermediate Similarity | 0.7905 | NPC202986 |
Intermediate Similarity | 0.79 | NPC197783 |
Intermediate Similarity | 0.79 | NPC155393 |
Intermediate Similarity | 0.7895 | NPC118202 |
Intermediate Similarity | 0.789 | NPC117115 |
Intermediate Similarity | 0.789 | NPC47284 |
Intermediate Similarity | 0.7885 | NPC289769 |
Intermediate Similarity | 0.7876 | NPC146422 |
Intermediate Similarity | 0.787 | NPC269212 |
Intermediate Similarity | 0.787 | NPC146798 |
Intermediate Similarity | 0.787 | NPC85479 |
Intermediate Similarity | 0.787 | NPC222522 |
Intermediate Similarity | 0.787 | NPC71002 |
Intermediate Similarity | 0.787 | NPC168303 |
Intermediate Similarity | 0.787 | NPC108497 |
Intermediate Similarity | 0.787 | NPC302219 |
Intermediate Similarity | 0.787 | NPC313030 |
Intermediate Similarity | 0.787 | NPC53051 |
Intermediate Similarity | 0.787 | NPC106396 |
Intermediate Similarity | 0.787 | NPC242342 |
Intermediate Similarity | 0.787 | NPC249828 |
Intermediate Similarity | 0.787 | NPC24404 |
Intermediate Similarity | 0.787 | NPC94351 |
Intermediate Similarity | 0.785 | NPC225506 |
Intermediate Similarity | 0.785 | NPC166761 |
Intermediate Similarity | 0.785 | NPC12931 |
Intermediate Similarity | 0.785 | NPC10588 |
Intermediate Similarity | 0.785 | NPC70677 |
Intermediate Similarity | 0.785 | NPC228400 |
Intermediate Similarity | 0.785 | NPC130756 |
Intermediate Similarity | 0.785 | NPC174911 |
Intermediate Similarity | 0.785 | NPC294741 |
Intermediate Similarity | 0.785 | NPC214200 |
Intermediate Similarity | 0.7838 | NPC153690 |
Intermediate Similarity | 0.7838 | NPC24101 |
Intermediate Similarity | 0.7838 | NPC96224 |
Intermediate Similarity | 0.7838 | NPC11554 |
Intermediate Similarity | 0.7838 | NPC64586 |
Intermediate Similarity | 0.7833 | NPC307020 |
Intermediate Similarity | 0.783 | NPC32674 |
Intermediate Similarity | 0.783 | NPC475078 |
Intermediate Similarity | 0.783 | NPC156313 |
Intermediate Similarity | 0.7826 | NPC213 |
Intermediate Similarity | 0.7826 | NPC10286 |
Intermediate Similarity | 0.7826 | NPC317254 |
Intermediate Similarity | 0.7822 | NPC184169 |
Intermediate Similarity | 0.7818 | NPC310456 |
Intermediate Similarity | 0.7818 | NPC53740 |
Intermediate Similarity | 0.7818 | NPC477814 |
Intermediate Similarity | 0.7818 | NPC21594 |
Intermediate Similarity | 0.781 | NPC26244 |
Intermediate Similarity | 0.78 | NPC286904 |
Intermediate Similarity | 0.78 | NPC175313 |
Intermediate Similarity | 0.78 | NPC248817 |
Intermediate Similarity | 0.7798 | NPC120719 |
Intermediate Similarity | 0.7788 | NPC271440 |
Intermediate Similarity | 0.7788 | NPC29373 |
Intermediate Similarity | 0.7778 | NPC24407 |
Intermediate Similarity | 0.7778 | NPC294186 |
Intermediate Similarity | 0.7778 | NPC284011 |
Intermediate Similarity | 0.7778 | NPC192032 |
Intermediate Similarity | 0.7778 | NPC477685 |
Intermediate Similarity | 0.7778 | NPC72947 |
Intermediate Similarity | 0.7778 | NPC11280 |
Intermediate Similarity | 0.7778 | NPC137415 |
Intermediate Similarity | 0.7778 | NPC166313 |
Intermediate Similarity | 0.7778 | NPC147310 |
Intermediate Similarity | 0.7768 | NPC316052 |
Intermediate Similarity | 0.7768 | NPC228343 |
Intermediate Similarity | 0.7768 | NPC58865 |
Intermediate Similarity | 0.7768 | NPC254833 |
Intermediate Similarity | 0.7767 | NPC312304 |
Intermediate Similarity | 0.7748 | NPC151477 |
Intermediate Similarity | 0.7727 | NPC239291 |
Intermediate Similarity | 0.7714 | NPC151715 |
Intermediate Similarity | 0.7712 | NPC268572 |
Intermediate Similarity | 0.7706 | NPC196479 |
Intermediate Similarity | 0.77 | NPC124436 |
Intermediate Similarity | 0.77 | NPC265146 |
Intermediate Similarity | 0.7699 | NPC13482 |
Intermediate Similarity | 0.7692 | NPC204210 |
Intermediate Similarity | 0.7692 | NPC45040 |
Intermediate Similarity | 0.7692 | NPC283468 |
Intermediate Similarity | 0.7685 | NPC29601 |
Intermediate Similarity | 0.7679 | NPC306295 |
Intermediate Similarity | 0.767 | NPC98772 |
Intermediate Similarity | 0.7664 | NPC109955 |
Intermediate Similarity | 0.7664 | NPC107619 |
Intermediate Similarity | 0.7658 | NPC469913 |
Intermediate Similarity | 0.7658 | NPC155072 |
Intermediate Similarity | 0.7658 | NPC271274 |
Intermediate Similarity | 0.7642 | NPC144682 |
Intermediate Similarity | 0.7636 | NPC327811 |
Intermediate Similarity | 0.7636 | NPC218879 |
Intermediate Similarity | 0.7636 | NPC272029 |
Intermediate Similarity | 0.7636 | NPC254965 |
Intermediate Similarity | 0.7636 | NPC244513 |
Intermediate Similarity | 0.7636 | NPC227458 |
Intermediate Similarity | 0.7636 | NPC238696 |
Intermediate Similarity | 0.7636 | NPC241891 |
Intermediate Similarity | 0.7632 | NPC224527 |
Intermediate Similarity | 0.7632 | NPC470770 |
Intermediate Similarity | 0.7632 | NPC77772 |
Intermediate Similarity | 0.7632 | NPC163674 |
Intermediate Similarity | 0.7632 | NPC322753 |
Intermediate Similarity | 0.7632 | NPC266937 |
Intermediate Similarity | 0.7632 | NPC54373 |
Intermediate Similarity | 0.7627 | NPC122009 |
Intermediate Similarity | 0.7619 | NPC138117 |
Intermediate Similarity | 0.7619 | NPC149379 |
Intermediate Similarity | 0.7619 | NPC325292 |
Molecular Weight   | 221.18 |
ALogP   | -0.3685 |
MLogP   | 2.78 |
XLogP   | 3.676 |
HDA   | 1 |
HBD   | 1 |
Rotatable Bonds   | 10 |
TPSA   | 23.47 |
RO5 Violation   | 0 |