Drug ID:   | NPD5126 |
Drug Name:   | Tofogliflozin |
Molecular Formula:   | C22H26O6 |
Canonical SMILES:   | OC[C@H]1O[C@]2(OCc3c2cc(cc3)Cc2ccc(cc2)CC)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI:   | InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22+/m1/s1 |
Standard InCHIKey:   | VWVKUNOPTJGDOB-BDHVOXNPSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | 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 | 0.8512 | NPC233923 |
High Similarity | 0.8512 | NPC146673 |
Intermediate Similarity | 0.8448 | NPC30563 |
Intermediate Similarity | 0.8448 | NPC264784 |
Intermediate Similarity | 0.8362 | NPC276061 |
Intermediate Similarity | 0.8362 | NPC474148 |
Intermediate Similarity | 0.8333 | NPC37714 |
Intermediate Similarity | 0.8333 | NPC152384 |
Intermediate Similarity | 0.8279 | NPC238582 |
Intermediate Similarity | 0.8246 | NPC148060 |
Intermediate Similarity | 0.8235 | NPC169616 |
Intermediate Similarity | 0.823 | NPC154905 |
Intermediate Similarity | 0.823 | NPC60373 |
Intermediate Similarity | 0.8145 | NPC229600 |
Intermediate Similarity | 0.7967 | NPC266389 |
Intermediate Similarity | 0.7967 | NPC216605 |
Intermediate Similarity | 0.7967 | NPC122245 |
Intermediate Similarity | 0.7934 | NPC120217 |
Intermediate Similarity | 0.7931 | NPC47286 |
Intermediate Similarity | 0.7886 | NPC473556 |
Intermediate Similarity | 0.7886 | NPC301651 |
Intermediate Similarity | 0.7874 | NPC471067 |
Intermediate Similarity | 0.7868 | NPC476643 |
Intermediate Similarity | 0.7868 | NPC183781 |
Intermediate Similarity | 0.7863 | NPC27712 |
Intermediate Similarity | 0.7851 | NPC265002 |
Intermediate Similarity | 0.7845 | NPC469527 |
Intermediate Similarity | 0.7829 | NPC9180 |
Intermediate Similarity | 0.7829 | NPC100402 |
Intermediate Similarity | 0.7823 | NPC476266 |
Intermediate Similarity | 0.7812 | NPC178449 |
Intermediate Similarity | 0.7812 | NPC232454 |
Intermediate Similarity | 0.7812 | NPC470907 |
Intermediate Similarity | 0.7812 | NPC307139 |
Intermediate Similarity | 0.7807 | NPC262826 |
Intermediate Similarity | 0.7778 | NPC79957 |
Intermediate Similarity | 0.7778 | NPC474442 |
Intermediate Similarity | 0.777 | NPC471139 |
Intermediate Similarity | 0.7769 | NPC185840 |
Intermediate Similarity | 0.7769 | NPC111108 |
Intermediate Similarity | 0.7769 | NPC5486 |
Intermediate Similarity | 0.7769 | NPC234376 |
Intermediate Similarity | 0.7744 | NPC475067 |
Intermediate Similarity | 0.7734 | NPC473870 |
Intermediate Similarity | 0.7734 | NPC476142 |
Intermediate Similarity | 0.7734 | NPC473871 |
Intermediate Similarity | 0.7717 | NPC160854 |
Intermediate Similarity | 0.7717 | NPC201402 |
Intermediate Similarity | 0.7717 | NPC469703 |
Intermediate Similarity | 0.7717 | NPC469704 |
Intermediate Similarity | 0.7714 | NPC217635 |
Intermediate Similarity | 0.7714 | NPC471667 |
Intermediate Similarity | 0.7714 | NPC79429 |
Intermediate Similarity | 0.771 | NPC469386 |
Intermediate Similarity | 0.7674 | NPC470815 |
Intermediate Similarity | 0.7674 | NPC138798 |
Intermediate Similarity | 0.7667 | NPC149455 |
Intermediate Similarity | 0.7667 | NPC64642 |
Intermediate Similarity | 0.7667 | NPC472982 |
Intermediate Similarity | 0.7664 | NPC134260 |
Intermediate Similarity | 0.766 | NPC286245 |
Intermediate Similarity | 0.766 | NPC476301 |
Intermediate Similarity | 0.766 | NPC43508 |
Intermediate Similarity | 0.766 | NPC272619 |
Intermediate Similarity | 0.7656 | NPC473889 |
Intermediate Similarity | 0.7656 | NPC469686 |
Intermediate Similarity | 0.7652 | NPC311293 |
Intermediate Similarity | 0.7652 | NPC148366 |
Intermediate Similarity | 0.7638 | NPC469702 |
Intermediate Similarity | 0.7638 | NPC282409 |
Intermediate Similarity | 0.7626 | NPC108674 |
Intermediate Similarity | 0.7626 | NPC76871 |
Intermediate Similarity | 0.7626 | NPC472711 |
Intermediate Similarity | 0.7622 | NPC469448 |
Intermediate Similarity | 0.7619 | NPC254233 |
Intermediate Similarity | 0.7615 | NPC57607 |
Intermediate Similarity | 0.7612 | NPC78575 |
Intermediate Similarity | 0.7609 | NPC156376 |
Intermediate Similarity | 0.76 | NPC175771 |
Intermediate Similarity | 0.76 | NPC472862 |
Intermediate Similarity | 0.76 | NPC148055 |
Intermediate Similarity | 0.7597 | NPC182333 |
Intermediate Similarity | 0.7597 | NPC273336 |
Intermediate Similarity | 0.7589 | NPC164183 |
Intermediate Similarity | 0.7589 | NPC471065 |
Intermediate Similarity | 0.7589 | NPC253015 |
Intermediate Similarity | 0.7583 | NPC277788 |
Intermediate Similarity | 0.7578 | NPC469548 |
Intermediate Similarity | 0.7578 | NPC476445 |
Intermediate Similarity | 0.7578 | NPC476448 |
Intermediate Similarity | 0.7576 | NPC469687 |
Intermediate Similarity | 0.7576 | NPC230331 |
Intermediate Similarity | 0.7574 | NPC117048 |
Intermediate Similarity | 0.7574 | NPC124085 |
Intermediate Similarity | 0.7574 | NPC471942 |
Intermediate Similarity | 0.7571 | NPC246947 |
Intermediate Similarity | 0.7571 | NPC60249 |
Intermediate Similarity | 0.7571 | NPC48309 |
Intermediate Similarity | 0.7561 | NPC42911 |
Intermediate Similarity | 0.7561 | NPC290353 |
Intermediate Similarity | 0.7561 | NPC153795 |
Intermediate Similarity | 0.7557 | NPC476033 |
Intermediate Similarity | 0.7557 | NPC475933 |
Intermediate Similarity | 0.7557 | NPC470816 |
Intermediate Similarity | 0.7557 | NPC124030 |
Intermediate Similarity | 0.7557 | NPC470158 |
Intermediate Similarity | 0.7556 | NPC476644 |
Intermediate Similarity | 0.7556 | NPC254275 |
Intermediate Similarity | 0.7556 | NPC59239 |
Intermediate Similarity | 0.7554 | NPC164743 |
Intermediate Similarity | 0.7552 | NPC31325 |
Intermediate Similarity | 0.7552 | NPC114505 |
Intermediate Similarity | 0.7552 | NPC15956 |
Intermediate Similarity | 0.7552 | NPC275284 |
Intermediate Similarity | 0.7552 | NPC193473 |
Intermediate Similarity | 0.7552 | NPC213074 |
Intermediate Similarity | 0.7552 | NPC224674 |
Intermediate Similarity | 0.7542 | NPC19856 |
Intermediate Similarity | 0.7538 | NPC77691 |
Intermediate Similarity | 0.7538 | NPC473451 |
Intermediate Similarity | 0.7537 | NPC11089 |
Intermediate Similarity | 0.7536 | NPC156393 |
Intermediate Similarity | 0.7519 | NPC301857 |
Intermediate Similarity | 0.7519 | NPC470084 |
Intermediate Similarity | 0.7518 | NPC477898 |
Intermediate Similarity | 0.7518 | NPC470950 |
Intermediate Similarity | 0.7518 | NPC46092 |
Intermediate Similarity | 0.7518 | NPC185307 |
Intermediate Similarity | 0.7518 | NPC184938 |
Intermediate Similarity | 0.7518 | NPC101624 |
Intermediate Similarity | 0.75 | NPC95990 |
Intermediate Similarity | 0.75 | NPC476972 |
Intermediate Similarity | 0.75 | NPC123175 |
Intermediate Similarity | 0.75 | NPC85435 |
Intermediate Similarity | 0.75 | NPC476971 |
Intermediate Similarity | 0.75 | NPC475203 |
Intermediate Similarity | 0.75 | NPC253681 |
Intermediate Similarity | 0.75 | NPC210192 |
Intermediate Similarity | 0.75 | NPC472316 |
Intermediate Similarity | 0.75 | NPC114096 |
Intermediate Similarity | 0.75 | NPC472315 |
Intermediate Similarity | 0.75 | NPC474376 |
Intermediate Similarity | 0.75 | NPC215037 |
Intermediate Similarity | 0.75 | NPC206882 |
Intermediate Similarity | 0.75 | NPC270751 |
Intermediate Similarity | 0.75 | NPC176730 |
Intermediate Similarity | 0.75 | NPC471908 |
Intermediate Similarity | 0.7483 | NPC257847 |
Intermediate Similarity | 0.7482 | NPC100913 |
Intermediate Similarity | 0.7482 | NPC475836 |
Intermediate Similarity | 0.7482 | NPC275592 |
Intermediate Similarity | 0.7481 | NPC312341 |
Intermediate Similarity | 0.7481 | NPC287429 |
Intermediate Similarity | 0.7481 | NPC103799 |
Intermediate Similarity | 0.7481 | NPC478255 |
Intermediate Similarity | 0.748 | NPC470825 |
Intermediate Similarity | 0.7465 | NPC283995 |
Intermediate Similarity | 0.7465 | NPC84181 |
Intermediate Similarity | 0.7465 | NPC470235 |
Intermediate Similarity | 0.7465 | NPC471063 |
Intermediate Similarity | 0.7465 | NPC129417 |
Intermediate Similarity | 0.7464 | NPC262585 |
Intermediate Similarity | 0.7464 | NPC20829 |
Intermediate Similarity | 0.7464 | NPC475628 |
Intermediate Similarity | 0.7464 | NPC199459 |
Intermediate Similarity | 0.7464 | NPC18189 |
Intermediate Similarity | 0.7464 | NPC52277 |
Intermediate Similarity | 0.7464 | NPC177035 |
Intermediate Similarity | 0.7464 | NPC3049 |
Intermediate Similarity | 0.746 | NPC470820 |
Intermediate Similarity | 0.7448 | NPC44452 |
Intermediate Similarity | 0.7447 | NPC41782 |
Intermediate Similarity | 0.7447 | NPC476356 |
Intermediate Similarity | 0.7447 | NPC253878 |
Intermediate Similarity | 0.7447 | NPC472353 |
Intermediate Similarity | 0.7445 | NPC476411 |
Intermediate Similarity | 0.7445 | NPC187194 |
Intermediate Similarity | 0.7445 | NPC47181 |
Intermediate Similarity | 0.7444 | NPC264900 |
Intermediate Similarity | 0.7444 | NPC148026 |
Intermediate Similarity | 0.7444 | NPC108659 |
Intermediate Similarity | 0.7444 | NPC231607 |
Intermediate Similarity | 0.7444 | NPC288416 |
Intermediate Similarity | 0.7444 | NPC471077 |
Intermediate Similarity | 0.7444 | NPC79715 |
Intermediate Similarity | 0.7442 | NPC469412 |
Intermediate Similarity | 0.7442 | NPC198734 |
Intermediate Similarity | 0.7442 | NPC470414 |
Intermediate Similarity | 0.744 | NPC157338 |
Intermediate Similarity | 0.744 | NPC313193 |
Intermediate Similarity | 0.7438 | NPC27252 |
Intermediate Similarity | 0.7438 | NPC472979 |
Intermediate Similarity | 0.7438 | NPC472980 |
Intermediate Similarity | 0.7429 | NPC87448 |
Intermediate Similarity | 0.7429 | NPC472576 |
Intermediate Similarity | 0.7429 | NPC27377 |
Intermediate Similarity | 0.7429 | NPC41481 |
Intermediate Similarity | 0.7429 | NPC97947 |
Intermediate Similarity | 0.7429 | NPC471862 |
Intermediate Similarity | 0.7429 | NPC291599 |
TTD   | DCL000614; DNCL003700; DNCL003542 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | 9395 |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 46908928; 46908929 |
ChEBI   | |
CAS Number   |
Molecular Weight   | 386.17 |
ALogP   | -1.5447 |
MLogP   | 3.22 |
XLogP   | 5.254 |
HDA   | 6 |
HBD   | 4 |
Rotatable Bonds   | 9 |
TPSA   | 99.38 |
RO5 Violation   | 1 |