Drug ID:   | NPD1424 |
Drug Name:   | Trimetazidine |
Molecular Formula:   | C14H22N2O3 |
Canonical SMILES:   | COc1c(ccc(c1OC)OC)CN1CCNCC1 |
Standard InCHI:   | InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3 |
Standard InCHIKey:   | UHWVSEOVJBQKBE-UHFFFAOYSA-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 | 0.8705 | NPC262641 |
High Similarity | 0.8591 | NPC59907 |
High Similarity | 0.8591 | NPC37144 |
High Similarity | 0.8521 | NPC160692 |
Intermediate Similarity | 0.8414 | NPC253429 |
Intermediate Similarity | 0.8389 | NPC110337 |
Intermediate Similarity | 0.8345 | NPC105513 |
Intermediate Similarity | 0.831 | NPC160193 |
Intermediate Similarity | 0.8293 | NPC243454 |
Intermediate Similarity | 0.8293 | NPC475479 |
Intermediate Similarity | 0.825 | NPC204947 |
Intermediate Similarity | 0.8242 | NPC239584 |
Intermediate Similarity | 0.8201 | NPC298486 |
Intermediate Similarity | 0.8169 | NPC172403 |
Intermediate Similarity | 0.8169 | NPC291847 |
Intermediate Similarity | 0.8129 | NPC114124 |
Intermediate Similarity | 0.8077 | NPC477564 |
Intermediate Similarity | 0.8077 | NPC2295 |
Intermediate Similarity | 0.8075 | NPC13916 |
Intermediate Similarity | 0.8075 | NPC264850 |
Intermediate Similarity | 0.8012 | NPC24465 |
Intermediate Similarity | 0.7988 | NPC317439 |
Intermediate Similarity | 0.7988 | NPC227060 |
Intermediate Similarity | 0.7988 | NPC76682 |
Intermediate Similarity | 0.7988 | NPC317145 |
Intermediate Similarity | 0.7988 | NPC63646 |
Intermediate Similarity | 0.7988 | NPC198498 |
Intermediate Similarity | 0.7988 | NPC115284 |
Intermediate Similarity | 0.7988 | NPC276890 |
Intermediate Similarity | 0.7988 | NPC10908 |
Intermediate Similarity | 0.7987 | NPC7393 |
Intermediate Similarity | 0.7975 | NPC204908 |
Intermediate Similarity | 0.7975 | NPC83198 |
Intermediate Similarity | 0.7964 | NPC474507 |
Intermediate Similarity | 0.7961 | NPC294249 |
Intermediate Similarity | 0.7953 | NPC11296 |
Intermediate Similarity | 0.7953 | NPC82457 |
Intermediate Similarity | 0.7953 | NPC175890 |
Intermediate Similarity | 0.7953 | NPC281581 |
Intermediate Similarity | 0.7953 | NPC274661 |
Intermediate Similarity | 0.7953 | NPC48490 |
Intermediate Similarity | 0.7952 | NPC476577 |
Intermediate Similarity | 0.7952 | NPC148709 |
Intermediate Similarity | 0.7952 | NPC173416 |
Intermediate Similarity | 0.7952 | NPC112575 |
Intermediate Similarity | 0.7939 | NPC12424 |
Intermediate Similarity | 0.7939 | NPC129518 |
Intermediate Similarity | 0.7939 | NPC41376 |
Intermediate Similarity | 0.7939 | NPC251580 |
Intermediate Similarity | 0.7935 | NPC60538 |
Intermediate Similarity | 0.7935 | NPC207824 |
Intermediate Similarity | 0.7933 | NPC314682 |
Intermediate Similarity | 0.7927 | NPC75958 |
Intermediate Similarity | 0.7922 | NPC210437 |
Intermediate Similarity | 0.7922 | NPC106295 |
Intermediate Similarity | 0.7922 | NPC51957 |
Intermediate Similarity | 0.7922 | NPC476151 |
Intermediate Similarity | 0.7922 | NPC16107 |
Intermediate Similarity | 0.7922 | NPC476144 |
Intermediate Similarity | 0.7917 | NPC474506 |
Intermediate Similarity | 0.7917 | NPC32413 |
Intermediate Similarity | 0.7907 | NPC60295 |
Intermediate Similarity | 0.7907 | NPC191132 |
Intermediate Similarity | 0.7904 | NPC23219 |
Intermediate Similarity | 0.7887 | NPC217277 |
Intermediate Similarity | 0.7881 | NPC213206 |
Intermediate Similarity | 0.7881 | NPC328750 |
Intermediate Similarity | 0.7881 | NPC188163 |
Intermediate Similarity | 0.7881 | NPC474915 |
Intermediate Similarity | 0.7871 | NPC7467 |
Intermediate Similarity | 0.7862 | NPC126519 |
Intermediate Similarity | 0.7862 | NPC203784 |
Intermediate Similarity | 0.7862 | NPC170503 |
Intermediate Similarity | 0.7857 | NPC470879 |
Intermediate Similarity | 0.7857 | NPC473934 |
Intermediate Similarity | 0.7857 | NPC258695 |
Intermediate Similarity | 0.7852 | NPC131204 |
Intermediate Similarity | 0.7852 | NPC301050 |
Intermediate Similarity | 0.7852 | NPC7018 |
Intermediate Similarity | 0.7844 | NPC293093 |
Intermediate Similarity | 0.784 | NPC124433 |
Intermediate Similarity | 0.784 | NPC293871 |
Intermediate Similarity | 0.7834 | NPC76213 |
Intermediate Similarity | 0.7834 | NPC277669 |
Intermediate Similarity | 0.7831 | NPC190783 |
Intermediate Similarity | 0.7831 | NPC232386 |
Intermediate Similarity | 0.7831 | NPC152680 |
Intermediate Similarity | 0.7821 | NPC477565 |
Intermediate Similarity | 0.7821 | NPC103379 |
Intermediate Similarity | 0.7816 | NPC256124 |
Intermediate Similarity | 0.7799 | NPC187022 |
Intermediate Similarity | 0.7799 | NPC80129 |
Intermediate Similarity | 0.7792 | NPC130926 |
Intermediate Similarity | 0.7771 | NPC10871 |
Intermediate Similarity | 0.777 | NPC120075 |
Intermediate Similarity | 0.775 | NPC160931 |
Intermediate Similarity | 0.775 | NPC37205 |
Intermediate Similarity | 0.7746 | NPC211992 |
Intermediate Similarity | 0.7744 | NPC56887 |
Intermediate Similarity | 0.7744 | NPC223077 |
Intermediate Similarity | 0.7744 | NPC193853 |
Intermediate Similarity | 0.7733 | NPC416184 |
Intermediate Similarity | 0.7711 | NPC168753 |
Intermediate Similarity | 0.7711 | NPC118274 |
Intermediate Similarity | 0.7702 | NPC476572 |
Intermediate Similarity | 0.7702 | NPC129603 |
Intermediate Similarity | 0.7688 | NPC325871 |
Intermediate Similarity | 0.7688 | NPC123323 |
Intermediate Similarity | 0.7688 | NPC99659 |
Intermediate Similarity | 0.7683 | NPC209377 |
Intermediate Similarity | 0.7677 | NPC185838 |
Intermediate Similarity | 0.7669 | NPC60186 |
Intermediate Similarity | 0.7665 | NPC19520 |
Intermediate Similarity | 0.7665 | NPC239775 |
Intermediate Similarity | 0.7665 | NPC149090 |
Intermediate Similarity | 0.7662 | NPC128019 |
Intermediate Similarity | 0.7662 | NPC136860 |
Intermediate Similarity | 0.7662 | NPC476567 |
Intermediate Similarity | 0.7661 | NPC311973 |
Intermediate Similarity | 0.7661 | NPC185639 |
Intermediate Similarity | 0.7661 | NPC258657 |
Intermediate Similarity | 0.7661 | NPC239824 |
Intermediate Similarity | 0.7661 | NPC104196 |
Intermediate Similarity | 0.7661 | NPC54654 |
Intermediate Similarity | 0.7661 | NPC271013 |
Intermediate Similarity | 0.7661 | NPC15414 |
Intermediate Similarity | 0.7661 | NPC42663 |
Intermediate Similarity | 0.7661 | NPC285931 |
Intermediate Similarity | 0.7661 | NPC299990 |
Intermediate Similarity | 0.7661 | NPC181796 |
Intermediate Similarity | 0.7661 | NPC182052 |
Intermediate Similarity | 0.7661 | NPC251735 |
Intermediate Similarity | 0.7661 | NPC7715 |
Intermediate Similarity | 0.7661 | NPC290005 |
Intermediate Similarity | 0.7661 | NPC8836 |
Intermediate Similarity | 0.7661 | NPC223690 |
Intermediate Similarity | 0.7661 | NPC73492 |
Intermediate Similarity | 0.7661 | NPC90998 |
Intermediate Similarity | 0.7661 | NPC222661 |
Intermediate Similarity | 0.7661 | NPC290582 |
Intermediate Similarity | 0.7661 | NPC49075 |
Intermediate Similarity | 0.7661 | NPC328155 |
Intermediate Similarity | 0.7661 | NPC229373 |
Intermediate Similarity | 0.7661 | NPC279228 |
Intermediate Similarity | 0.7661 | NPC217748 |
Intermediate Similarity | 0.7647 | NPC323204 |
Intermediate Similarity | 0.7647 | NPC244554 |
Intermediate Similarity | 0.764 | NPC190931 |
Intermediate Similarity | 0.763 | NPC57036 |
Intermediate Similarity | 0.7622 | NPC475393 |
Intermediate Similarity | 0.7619 | NPC192135 |
Intermediate Similarity | 0.7619 | NPC66341 |
Intermediate Similarity | 0.7619 | NPC477020 |
Intermediate Similarity | 0.7616 | NPC254441 |
Intermediate Similarity | 0.7616 | NPC274716 |
Intermediate Similarity | 0.7616 | NPC167116 |
Intermediate Similarity | 0.761 | NPC81733 |
Intermediate Similarity | 0.761 | NPC326316 |
Intermediate Similarity | 0.7605 | NPC477562 |
Intermediate Similarity | 0.7605 | NPC26240 |
Intermediate Similarity | 0.7605 | NPC69712 |
Intermediate Similarity | 0.7605 | NPC6152 |
Intermediate Similarity | 0.7602 | NPC195538 |
Intermediate Similarity | 0.7602 | NPC286119 |
Intermediate Similarity | 0.7593 | NPC65490 |
Intermediate Similarity | 0.7593 | NPC148014 |
Intermediate Similarity | 0.7593 | NPC315707 |
Intermediate Similarity | 0.7593 | NPC40389 |
Intermediate Similarity | 0.7593 | NPC78359 |
Intermediate Similarity | 0.7586 | NPC186546 |
Intermediate Similarity | 0.7586 | NPC476576 |
Intermediate Similarity | 0.758 | NPC191376 |
Intermediate Similarity | 0.758 | NPC321505 |
Intermediate Similarity | 0.758 | NPC179825 |
Intermediate Similarity | 0.7578 | NPC127674 |
Intermediate Similarity | 0.7578 | NPC39701 |
Intermediate Similarity | 0.7578 | NPC249797 |
Intermediate Similarity | 0.7578 | NPC189266 |
Intermediate Similarity | 0.7578 | NPC5238 |
Intermediate Similarity | 0.7578 | NPC244112 |
Intermediate Similarity | 0.7578 | NPC41178 |
Intermediate Similarity | 0.7578 | NPC2413 |
Intermediate Similarity | 0.7578 | NPC93593 |
Intermediate Similarity | 0.7578 | NPC184026 |
Intermediate Similarity | 0.7578 | NPC295691 |
Intermediate Similarity | 0.7578 | NPC204828 |
Intermediate Similarity | 0.7578 | NPC216459 |
Intermediate Similarity | 0.7578 | NPC193949 |
Intermediate Similarity | 0.7578 | NPC172765 |
Intermediate Similarity | 0.7578 | NPC110416 |
Intermediate Similarity | 0.7578 | NPC138487 |
Intermediate Similarity | 0.7578 | NPC469817 |
Intermediate Similarity | 0.7578 | NPC276588 |
Intermediate Similarity | 0.7578 | NPC207757 |
Intermediate Similarity | 0.7578 | NPC54379 |
Intermediate Similarity | 0.7578 | NPC278799 |
Intermediate Similarity | 0.7576 | NPC39103 |
Intermediate Similarity | 0.7576 | NPC2770 |
Intermediate Similarity | 0.7572 | NPC249996 |
Intermediate Similarity | 0.7572 | NPC16357 |
TTD   | DIB015290 |
DrugBank   | DB09069 |
ChEMBL   | CHEMBL203266 |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | D01606 |
PubChem CID   | |
ChEBI   | 94789 |
CAS Number   | 5011-34-7 |
Molecular Weight   | 266.16 |
ALogP   | -0.5046 |
MLogP   | 2.45 |
XLogP   | 0.41 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 8 |
TPSA   | 42.96 |
RO5 Violation   | 0 |