Drug ID:   | NPD4907 |
Drug Name:   | |
Molecular Formula:   | C22H20O4 |
Canonical SMILES:   | Oc1ccc(cc1)[C@@H]1COc2c([C@@H]1c1ccc(cc1)O)ccc(c2C)O |
Standard InCHI:   | InChI=1S/C22H20O4/c1-13-20(25)11-10-18-21(15-4-8-17(24)9-5-15)19(12-26-22(13)18)14-2-6-16(23)7-3-14/h2-11,19,21,23-25H,12H2,1H3/t19-,21-/m0/s1 |
Standard InCHIKey:   | QVCAATSEPLQVBX-FPOVZHCZSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
Max Developmental Stage Source:   | TTD |
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 | 0.9677 | NPC38664 |
High Similarity | 0.9677 | NPC53986 |
High Similarity | 0.9603 | NPC293203 |
High Similarity | 0.9603 | NPC244888 |
High Similarity | 0.9603 | NPC164804 |
High Similarity | 0.9603 | NPC118683 |
High Similarity | 0.9603 | NPC68205 |
High Similarity | 0.9603 | NPC211413 |
High Similarity | 0.96 | NPC93962 |
High Similarity | 0.9535 | NPC471522 |
High Similarity | 0.9516 | NPC26879 |
High Similarity | 0.9516 | NPC50315 |
High Similarity | 0.9516 | NPC283049 |
High Similarity | 0.9516 | NPC230479 |
High Similarity | 0.9462 | NPC470308 |
High Similarity | 0.9462 | NPC470307 |
High Similarity | 0.9453 | NPC77196 |
High Similarity | 0.9449 | NPC196765 |
High Similarity | 0.9449 | NPC207892 |
High Similarity | 0.9449 | NPC476166 |
High Similarity | 0.9449 | NPC164574 |
High Similarity | 0.9449 | NPC268917 |
High Similarity | 0.9449 | NPC129106 |
High Similarity | 0.9449 | NPC129784 |
High Similarity | 0.9449 | NPC12875 |
High Similarity | 0.9449 | NPC206224 |
High Similarity | 0.9449 | NPC300875 |
High Similarity | 0.9449 | NPC228369 |
High Similarity | 0.9449 | NPC280653 |
High Similarity | 0.9449 | NPC236014 |
High Similarity | 0.9449 | NPC17343 |
High Similarity | 0.9449 | NPC150011 |
High Similarity | 0.9449 | NPC118114 |
High Similarity | 0.9435 | NPC188022 |
High Similarity | 0.9435 | NPC103420 |
High Similarity | 0.9435 | NPC285040 |
High Similarity | 0.9435 | NPC17809 |
High Similarity | 0.9435 | NPC102540 |
High Similarity | 0.938 | NPC473107 |
High Similarity | 0.938 | NPC476616 |
High Similarity | 0.938 | NPC223008 |
High Similarity | 0.938 | NPC476617 |
High Similarity | 0.938 | NPC97834 |
High Similarity | 0.938 | NPC476615 |
High Similarity | 0.938 | NPC115335 |
High Similarity | 0.938 | NPC296915 |
High Similarity | 0.938 | NPC225696 |
High Similarity | 0.938 | NPC198154 |
High Similarity | 0.9375 | NPC13005 |
High Similarity | 0.937 | NPC470225 |
High Similarity | 0.937 | NPC27187 |
High Similarity | 0.9365 | NPC274717 |
High Similarity | 0.936 | NPC276212 |
High Similarity | 0.9355 | NPC106914 |
High Similarity | 0.9355 | NPC86502 |
High Similarity | 0.9355 | NPC134195 |
High Similarity | 0.9355 | NPC197351 |
High Similarity | 0.9355 | NPC246648 |
High Similarity | 0.9308 | NPC125579 |
High Similarity | 0.9302 | NPC92805 |
High Similarity | 0.9297 | NPC271945 |
High Similarity | 0.9297 | NPC181497 |
High Similarity | 0.9291 | NPC134360 |
High Similarity | 0.9286 | NPC149796 |
High Similarity | 0.9274 | NPC76465 |
High Similarity | 0.9274 | NPC38761 |
High Similarity | 0.9268 | NPC193364 |
High Similarity | 0.9268 | NPC54972 |
High Similarity | 0.9213 | NPC39064 |
High Similarity | 0.9213 | NPC47283 |
High Similarity | 0.9194 | NPC36016 |
High Similarity | 0.9194 | NPC100099 |
High Similarity | 0.9154 | NPC85435 |
High Similarity | 0.9147 | NPC103799 |
High Similarity | 0.9104 | NPC277331 |
High Similarity | 0.9104 | NPC100482 |
High Similarity | 0.9098 | NPC475836 |
High Similarity | 0.9091 | NPC20829 |
High Similarity | 0.9091 | NPC18189 |
High Similarity | 0.9091 | NPC262585 |
High Similarity | 0.9084 | NPC124085 |
High Similarity | 0.9084 | NPC117048 |
High Similarity | 0.907 | NPC254000 |
High Similarity | 0.9055 | NPC262573 |
High Similarity | 0.9055 | NPC471215 |
High Similarity | 0.9044 | NPC475492 |
High Similarity | 0.9023 | NPC474687 |
High Similarity | 0.9015 | NPC11727 |
High Similarity | 0.9015 | NPC15109 |
High Similarity | 0.9008 | NPC469610 |
High Similarity | 0.9 | NPC282508 |
High Similarity | 0.9 | NPC162801 |
High Similarity | 0.9 | NPC472590 |
High Similarity | 0.9 | NPC8899 |
High Similarity | 0.8992 | NPC471519 |
High Similarity | 0.8992 | NPC96719 |
High Similarity | 0.8992 | NPC222108 |
High Similarity | 0.8992 | NPC471518 |
High Similarity | 0.8984 | NPC473134 |
High Similarity | 0.8978 | NPC101255 |
High Similarity | 0.8978 | NPC43716 |
High Similarity | 0.8978 | NPC475719 |
High Similarity | 0.8976 | NPC113495 |
High Similarity | 0.8963 | NPC5155 |
High Similarity | 0.896 | NPC476633 |
High Similarity | 0.8955 | NPC70682 |
High Similarity | 0.8955 | NPC260741 |
High Similarity | 0.8952 | NPC258979 |
High Similarity | 0.8952 | NPC93398 |
High Similarity | 0.8952 | NPC8283 |
High Similarity | 0.8947 | NPC141717 |
High Similarity | 0.8947 | NPC3049 |
High Similarity | 0.8943 | NPC131118 |
High Similarity | 0.8931 | NPC469611 |
High Similarity | 0.8915 | NPC222572 |
High Similarity | 0.8915 | NPC87224 |
High Similarity | 0.8898 | NPC159132 |
High Similarity | 0.8898 | NPC294156 |
High Similarity | 0.8898 | NPC256015 |
High Similarity | 0.8897 | NPC475891 |
High Similarity | 0.8897 | NPC2613 |
High Similarity | 0.8897 | NPC204347 |
High Similarity | 0.8897 | NPC59841 |
High Similarity | 0.8889 | NPC150026 |
High Similarity | 0.8872 | NPC473413 |
High Similarity | 0.8871 | NPC172253 |
High Similarity | 0.8871 | NPC295259 |
High Similarity | 0.8871 | NPC59561 |
High Similarity | 0.8855 | NPC471517 |
High Similarity | 0.8855 | NPC473309 |
High Similarity | 0.8828 | NPC81641 |
High Similarity | 0.8824 | NPC178054 |
High Similarity | 0.8824 | NPC35216 |
High Similarity | 0.8815 | NPC32630 |
High Similarity | 0.8806 | NPC270456 |
High Similarity | 0.8806 | NPC162659 |
High Similarity | 0.8806 | NPC248727 |
High Similarity | 0.8806 | NPC173660 |
High Similarity | 0.8806 | NPC265433 |
High Similarity | 0.8797 | NPC317380 |
High Similarity | 0.8797 | NPC131950 |
High Similarity | 0.879 | NPC74821 |
High Similarity | 0.878 | NPC229147 |
High Similarity | 0.878 | NPC85292 |
High Similarity | 0.878 | NPC54507 |
High Similarity | 0.8777 | NPC102280 |
High Similarity | 0.8777 | NPC155564 |
High Similarity | 0.8777 | NPC248053 |
High Similarity | 0.8769 | NPC215300 |
High Similarity | 0.8768 | NPC473108 |
High Similarity | 0.876 | NPC170485 |
High Similarity | 0.875 | NPC213607 |
High Similarity | 0.875 | NPC182509 |
High Similarity | 0.875 | NPC174787 |
High Similarity | 0.875 | NPC259519 |
High Similarity | 0.8731 | NPC37410 |
High Similarity | 0.8731 | NPC195022 |
High Similarity | 0.8731 | NPC258780 |
High Similarity | 0.8723 | NPC211561 |
High Similarity | 0.8722 | NPC177712 |
High Similarity | 0.8722 | NPC11060 |
High Similarity | 0.8722 | NPC24913 |
High Similarity | 0.8714 | NPC263940 |
High Similarity | 0.8714 | NPC18185 |
High Similarity | 0.8714 | NPC170103 |
High Similarity | 0.8714 | NPC82917 |
High Similarity | 0.8714 | NPC108811 |
High Similarity | 0.8714 | NPC202742 |
High Similarity | 0.8714 | NPC262911 |
High Similarity | 0.8714 | NPC294558 |
High Similarity | 0.8714 | NPC204770 |
High Similarity | 0.8714 | NPC236202 |
High Similarity | 0.8714 | NPC58190 |
High Similarity | 0.8714 | NPC70409 |
High Similarity | 0.8712 | NPC160623 |
High Similarity | 0.8705 | NPC469557 |
High Similarity | 0.8702 | NPC16577 |
High Similarity | 0.8699 | NPC185541 |
High Similarity | 0.8699 | NPC464 |
High Similarity | 0.8692 | NPC53781 |
High Similarity | 0.8692 | NPC46978 |
High Similarity | 0.8686 | NPC265075 |
High Similarity | 0.8682 | NPC278552 |
High Similarity | 0.8682 | NPC105031 |
High Similarity | 0.8682 | NPC167571 |
High Similarity | 0.8682 | NPC207179 |
High Similarity | 0.8676 | NPC127218 |
High Similarity | 0.8676 | NPC471388 |
High Similarity | 0.8676 | NPC319647 |
High Similarity | 0.8676 | NPC245207 |
High Similarity | 0.8676 | NPC25966 |
High Similarity | 0.8672 | NPC474160 |
High Similarity | 0.8667 | NPC470802 |
High Similarity | 0.8667 | NPC234952 |
High Similarity | 0.8667 | NPC133463 |
High Similarity | 0.8667 | NPC170328 |
High Similarity | 0.8667 | NPC206525 |
High Similarity | 0.8667 | NPC472647 |
High Similarity | 0.8667 | NPC191462 |
High Similarity | 0.8667 | NPC472648 |
Molecular Weight   | 348.14 |
ALogP   | -1.189 |
MLogP   | 3.44 |
XLogP   | 4.279 |
HDA   | 0 |
HBD   | 3 |
Rotatable Bonds   | 6 |
TPSA   | 69.92 |
RO5 Violation   | 0 |