Drug ID:   | NPD943 |
Drug Name:   | Exifone |
Molecular Formula:   | C13H10O7 |
Canonical SMILES:   | O=C(c1ccc(c(c1O)O)O)c1cc(O)c(c(c1)O)O |
Standard InCHI:   | InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H |
Standard InCHIKey:   | XEDWWPGWIXPVRQ-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 | 1.0 | NPC135801 |
High Similarity | 0.992 | NPC469526 |
High Similarity | 0.992 | NPC34070 |
High Similarity | 0.984 | NPC26697 |
High Similarity | 0.984 | NPC233056 |
High Similarity | 0.96 | NPC107672 |
High Similarity | 0.9538 | NPC264112 |
High Similarity | 0.9538 | NPC65005 |
High Similarity | 0.9538 | NPC194764 |
High Similarity | 0.9528 | NPC244441 |
High Similarity | 0.952 | NPC8745 |
High Similarity | 0.9466 | NPC290030 |
High Similarity | 0.944 | NPC10926 |
High Similarity | 0.9398 | NPC203063 |
High Similarity | 0.9394 | NPC175552 |
High Similarity | 0.936 | NPC13238 |
High Similarity | 0.9323 | NPC472903 |
High Similarity | 0.92 | NPC133909 |
High Similarity | 0.92 | NPC32032 |
High Similarity | 0.9191 | NPC287722 |
High Similarity | 0.9191 | NPC238629 |
High Similarity | 0.9185 | NPC472904 |
High Similarity | 0.9173 | NPC170742 |
High Similarity | 0.912 | NPC143427 |
High Similarity | 0.912 | NPC115159 |
High Similarity | 0.912 | NPC45438 |
High Similarity | 0.912 | NPC73532 |
High Similarity | 0.912 | NPC242895 |
High Similarity | 0.912 | NPC156139 |
High Similarity | 0.912 | NPC224273 |
High Similarity | 0.912 | NPC19174 |
High Similarity | 0.912 | NPC267552 |
High Similarity | 0.9098 | NPC223836 |
High Similarity | 0.904 | NPC248363 |
High Similarity | 0.904 | NPC297186 |
High Similarity | 0.9023 | NPC72918 |
High Similarity | 0.8992 | NPC214620 |
High Similarity | 0.8986 | NPC38065 |
High Similarity | 0.8986 | NPC242893 |
High Similarity | 0.8986 | NPC142165 |
High Similarity | 0.8978 | NPC284556 |
High Similarity | 0.8978 | NPC301178 |
High Similarity | 0.896 | NPC159525 |
High Similarity | 0.8947 | NPC282780 |
High Similarity | 0.8947 | NPC44437 |
High Similarity | 0.8947 | NPC166480 |
High Similarity | 0.8929 | NPC125449 |
High Similarity | 0.8929 | NPC188074 |
High Similarity | 0.8913 | NPC471417 |
High Similarity | 0.8913 | NPC254659 |
High Similarity | 0.888 | NPC158222 |
High Similarity | 0.8872 | NPC294226 |
High Similarity | 0.8865 | NPC183655 |
High Similarity | 0.8865 | NPC43669 |
High Similarity | 0.8865 | NPC287395 |
High Similarity | 0.8865 | NPC272721 |
High Similarity | 0.8865 | NPC196277 |
High Similarity | 0.8865 | NPC218490 |
High Similarity | 0.8855 | NPC92624 |
High Similarity | 0.8855 | NPC474998 |
High Similarity | 0.8855 | NPC109123 |
High Similarity | 0.8846 | NPC23126 |
High Similarity | 0.8846 | NPC162612 |
High Similarity | 0.8846 | NPC72158 |
High Similarity | 0.8846 | NPC169250 |
High Similarity | 0.8846 | NPC266689 |
High Similarity | 0.8846 | NPC156539 |
High Similarity | 0.8846 | NPC100067 |
High Similarity | 0.8846 | NPC190043 |
High Similarity | 0.8846 | NPC103356 |
High Similarity | 0.8846 | NPC30501 |
High Similarity | 0.8846 | NPC105157 |
High Similarity | 0.8846 | NPC98254 |
High Similarity | 0.8824 | NPC416 |
High Similarity | 0.8824 | NPC61398 |
High Similarity | 0.8819 | NPC196976 |
High Similarity | 0.8803 | NPC40290 |
High Similarity | 0.8803 | NPC264289 |
High Similarity | 0.8803 | NPC69430 |
High Similarity | 0.8803 | NPC200060 |
High Similarity | 0.8803 | NPC195763 |
High Similarity | 0.8803 | NPC264550 |
High Similarity | 0.8803 | NPC333691 |
High Similarity | 0.8803 | NPC142876 |
High Similarity | 0.8803 | NPC139293 |
High Similarity | 0.8794 | NPC77378 |
High Similarity | 0.8794 | NPC168803 |
High Similarity | 0.8788 | NPC259942 |
High Similarity | 0.8786 | NPC70136 |
High Similarity | 0.8779 | NPC473017 |
High Similarity | 0.8779 | NPC221777 |
High Similarity | 0.8779 | NPC21305 |
High Similarity | 0.8769 | NPC267846 |
High Similarity | 0.8769 | NPC62952 |
High Similarity | 0.875 | NPC53206 |
High Similarity | 0.875 | NPC53414 |
High Similarity | 0.875 | NPC147418 |
High Similarity | 0.8741 | NPC29231 |
High Similarity | 0.8741 | NPC10467 |
High Similarity | 0.8741 | NPC129752 |
High Similarity | 0.8741 | NPC472279 |
High Similarity | 0.874 | NPC146642 |
High Similarity | 0.8732 | NPC118726 |
High Similarity | 0.8732 | NPC194653 |
High Similarity | 0.8732 | NPC12367 |
High Similarity | 0.8732 | NPC471907 |
High Similarity | 0.8732 | NPC139364 |
High Similarity | 0.8732 | NPC80710 |
High Similarity | 0.8732 | NPC254702 |
High Similarity | 0.8732 | NPC194856 |
High Similarity | 0.8732 | NPC203747 |
High Similarity | 0.8732 | NPC276930 |
High Similarity | 0.873 | NPC161617 |
High Similarity | 0.8714 | NPC105213 |
High Similarity | 0.8714 | NPC279121 |
High Similarity | 0.8714 | NPC207732 |
High Similarity | 0.8712 | NPC102829 |
High Similarity | 0.8712 | NPC120488 |
High Similarity | 0.8705 | NPC312256 |
High Similarity | 0.8705 | NPC291078 |
High Similarity | 0.8702 | NPC116513 |
High Similarity | 0.8696 | NPC50823 |
High Similarity | 0.8686 | NPC123714 |
High Similarity | 0.8681 | NPC251110 |
High Similarity | 0.8681 | NPC227485 |
High Similarity | 0.8676 | NPC254847 |
High Similarity | 0.8671 | NPC171916 |
High Similarity | 0.8671 | NPC183959 |
High Similarity | 0.8671 | NPC102003 |
High Similarity | 0.8671 | NPC92722 |
High Similarity | 0.8671 | NPC1612 |
High Similarity | 0.8671 | NPC105512 |
High Similarity | 0.8671 | NPC38545 |
High Similarity | 0.8662 | NPC275772 |
High Similarity | 0.8662 | NPC95864 |
High Similarity | 0.8662 | NPC51443 |
High Similarity | 0.8662 | NPC130230 |
High Similarity | 0.8662 | NPC207729 |
High Similarity | 0.8662 | NPC74881 |
High Similarity | 0.8662 | NPC86847 |
High Similarity | 0.8662 | NPC140840 |
High Similarity | 0.8662 | NPC239312 |
High Similarity | 0.8661 | NPC294037 |
High Similarity | 0.8651 | NPC40649 |
High Similarity | 0.8651 | NPC209486 |
High Similarity | 0.8647 | NPC117609 |
High Similarity | 0.8647 | NPC147757 |
High Similarity | 0.8643 | NPC119663 |
High Similarity | 0.8643 | NPC175013 |
High Similarity | 0.8636 | NPC179898 |
High Similarity | 0.8633 | NPC110419 |
High Similarity | 0.8623 | NPC138099 |
High Similarity | 0.8623 | NPC242994 |
High Similarity | 0.8621 | NPC209487 |
High Similarity | 0.8621 | NPC216769 |
High Similarity | 0.8621 | NPC131266 |
High Similarity | 0.8621 | NPC100263 |
High Similarity | 0.8621 | NPC181209 |
High Similarity | 0.8621 | NPC245382 |
High Similarity | 0.8621 | NPC35763 |
High Similarity | 0.8621 | NPC149889 |
High Similarity | 0.8621 | NPC100971 |
High Similarity | 0.8621 | NPC312338 |
High Similarity | 0.8621 | NPC121522 |
High Similarity | 0.8621 | NPC269451 |
High Similarity | 0.8621 | NPC291802 |
High Similarity | 0.8613 | NPC471905 |
High Similarity | 0.8611 | NPC61620 |
High Similarity | 0.8611 | NPC260582 |
High Similarity | 0.8611 | NPC62042 |
High Similarity | 0.8611 | NPC85131 |
High Similarity | 0.8611 | NPC248102 |
High Similarity | 0.8611 | NPC45873 |
High Similarity | 0.8605 | NPC225710 |
High Similarity | 0.8605 | NPC309765 |
High Similarity | 0.8603 | NPC258502 |
High Similarity | 0.8601 | NPC188679 |
High Similarity | 0.8601 | NPC166036 |
High Similarity | 0.8601 | NPC321011 |
High Similarity | 0.8601 | NPC15329 |
High Similarity | 0.8601 | NPC238279 |
High Similarity | 0.8601 | NPC203077 |
High Similarity | 0.8601 | NPC19545 |
High Similarity | 0.8601 | NPC131451 |
High Similarity | 0.8601 | NPC294852 |
High Similarity | 0.8601 | NPC3036 |
High Similarity | 0.8594 | NPC149246 |
High Similarity | 0.8593 | NPC213485 |
High Similarity | 0.8593 | NPC267205 |
High Similarity | 0.8593 | NPC40524 |
High Similarity | 0.8593 | NPC139074 |
High Similarity | 0.8592 | NPC12377 |
High Similarity | 0.8592 | NPC179271 |
High Similarity | 0.8592 | NPC20791 |
High Similarity | 0.8583 | NPC195262 |
High Similarity | 0.8583 | NPC188814 |
High Similarity | 0.8582 | NPC475042 |
High Similarity | 0.8582 | NPC257025 |
High Similarity | 0.8582 | NPC59551 |
High Similarity | 0.8571 | NPC476119 |
Molecular Weight   | 278.04 |
ALogP   | -3.0256 |
MLogP   | 2.12 |
XLogP   | 0.778 |
HDA   | 1 |
HBD   | 6 |
Rotatable Bonds   | 8 |
TPSA   | 138.45 |
RO5 Violation   | 1 |