Drug ID:   | NPD1511 |
Drug Name:   | |
Molecular Formula:   | C15H10O6 |
Canonical SMILES:   | Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O |
Standard InCHI:   | InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H |
Standard InCHIKey:   | IQPNAANSBPBGFQ-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
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 | 1.0 | NPC279121 |
High Similarity | 0.9928 | NPC70136 |
High Similarity | 0.9927 | NPC175013 |
High Similarity | 0.9856 | NPC20791 |
High Similarity | 0.9856 | NPC179271 |
High Similarity | 0.9786 | NPC108406 |
High Similarity | 0.9786 | NPC51443 |
High Similarity | 0.9786 | NPC130230 |
High Similarity | 0.9786 | NPC239312 |
High Similarity | 0.9786 | NPC74881 |
High Similarity | 0.9786 | NPC275772 |
High Similarity | 0.9716 | NPC119059 |
High Similarity | 0.9716 | NPC12367 |
High Similarity | 0.9716 | NPC118726 |
High Similarity | 0.9714 | NPC169749 |
High Similarity | 0.9648 | NPC287101 |
High Similarity | 0.9648 | NPC296197 |
High Similarity | 0.9648 | NPC183950 |
High Similarity | 0.9648 | NPC216318 |
High Similarity | 0.9648 | NPC137062 |
High Similarity | 0.9648 | NPC270465 |
High Similarity | 0.9648 | NPC52005 |
High Similarity | 0.9648 | NPC195351 |
High Similarity | 0.9648 | NPC17286 |
High Similarity | 0.9648 | NPC259713 |
High Similarity | 0.9648 | NPC223579 |
High Similarity | 0.9648 | NPC87125 |
High Similarity | 0.9645 | NPC168803 |
High Similarity | 0.958 | NPC149127 |
High Similarity | 0.958 | NPC286342 |
High Similarity | 0.958 | NPC45873 |
High Similarity | 0.958 | NPC184136 |
High Similarity | 0.958 | NPC188871 |
High Similarity | 0.958 | NPC77858 |
High Similarity | 0.958 | NPC88804 |
High Similarity | 0.958 | NPC3825 |
High Similarity | 0.9577 | NPC188679 |
High Similarity | 0.9577 | NPC276930 |
High Similarity | 0.9577 | NPC321011 |
High Similarity | 0.9577 | NPC294852 |
High Similarity | 0.9577 | NPC120464 |
High Similarity | 0.9514 | NPC225731 |
High Similarity | 0.9514 | NPC200740 |
High Similarity | 0.9514 | NPC260895 |
High Similarity | 0.9514 | NPC125062 |
High Similarity | 0.9514 | NPC54394 |
High Similarity | 0.9514 | NPC252933 |
High Similarity | 0.951 | NPC183959 |
High Similarity | 0.951 | NPC1612 |
High Similarity | 0.951 | NPC177298 |
High Similarity | 0.951 | NPC48479 |
High Similarity | 0.9507 | NPC95864 |
High Similarity | 0.9507 | NPC12200 |
High Similarity | 0.9448 | NPC83508 |
High Similarity | 0.9448 | NPC157784 |
High Similarity | 0.9448 | NPC82325 |
High Similarity | 0.9448 | NPC57030 |
High Similarity | 0.9448 | NPC37684 |
High Similarity | 0.9448 | NPC241498 |
High Similarity | 0.9448 | NPC27208 |
High Similarity | 0.9448 | NPC188203 |
High Similarity | 0.9448 | NPC100887 |
High Similarity | 0.9448 | NPC39732 |
High Similarity | 0.9448 | NPC275722 |
High Similarity | 0.9448 | NPC60972 |
High Similarity | 0.9448 | NPC120163 |
High Similarity | 0.9448 | NPC198826 |
High Similarity | 0.9448 | NPC63187 |
High Similarity | 0.9448 | NPC275836 |
High Similarity | 0.9448 | NPC212678 |
High Similarity | 0.9448 | NPC293183 |
High Similarity | 0.9448 | NPC279989 |
High Similarity | 0.9448 | NPC162313 |
High Similarity | 0.9448 | NPC131624 |
High Similarity | 0.9448 | NPC301323 |
High Similarity | 0.9448 | NPC156222 |
High Similarity | 0.9448 | NPC25270 |
High Similarity | 0.9448 | NPC55205 |
High Similarity | 0.9448 | NPC222830 |
High Similarity | 0.9448 | NPC239128 |
High Similarity | 0.9448 | NPC256283 |
High Similarity | 0.9448 | NPC71334 |
High Similarity | 0.9448 | NPC187498 |
High Similarity | 0.9444 | NPC62042 |
High Similarity | 0.9444 | NPC61620 |
High Similarity | 0.9441 | NPC43669 |
High Similarity | 0.9441 | NPC272721 |
High Similarity | 0.9441 | NPC195202 |
High Similarity | 0.9441 | NPC194856 |
High Similarity | 0.9441 | NPC3036 |
High Similarity | 0.9441 | NPC196277 |
High Similarity | 0.9441 | NPC19545 |
High Similarity | 0.9433 | NPC38065 |
High Similarity | 0.9433 | NPC242893 |
High Similarity | 0.9384 | NPC236223 |
High Similarity | 0.9384 | NPC47781 |
High Similarity | 0.9384 | NPC274327 |
High Similarity | 0.9384 | NPC255350 |
High Similarity | 0.9384 | NPC69394 |
High Similarity | 0.9384 | NPC176775 |
High Similarity | 0.9384 | NPC170492 |
High Similarity | 0.9384 | NPC145379 |
High Similarity | 0.9384 | NPC22519 |
High Similarity | 0.9384 | NPC160951 |
High Similarity | 0.9384 | NPC183878 |
High Similarity | 0.9384 | NPC270620 |
High Similarity | 0.9384 | NPC179126 |
High Similarity | 0.9384 | NPC231018 |
High Similarity | 0.9384 | NPC78326 |
High Similarity | 0.9379 | NPC50403 |
High Similarity | 0.9379 | NPC251110 |
High Similarity | 0.9379 | NPC133953 |
High Similarity | 0.9379 | NPC59162 |
High Similarity | 0.9379 | NPC205046 |
High Similarity | 0.9379 | NPC304295 |
High Similarity | 0.9379 | NPC28274 |
High Similarity | 0.9379 | NPC154345 |
High Similarity | 0.9379 | NPC204515 |
High Similarity | 0.9375 | NPC105512 |
High Similarity | 0.9375 | NPC159103 |
High Similarity | 0.9371 | NPC140840 |
High Similarity | 0.9371 | NPC86847 |
High Similarity | 0.9371 | NPC207729 |
High Similarity | 0.9371 | NPC62536 |
High Similarity | 0.9371 | NPC33265 |
High Similarity | 0.9371 | NPC77378 |
High Similarity | 0.932 | NPC56786 |
High Similarity | 0.932 | NPC92659 |
High Similarity | 0.932 | NPC80534 |
High Similarity | 0.932 | NPC128863 |
High Similarity | 0.932 | NPC44079 |
High Similarity | 0.932 | NPC2476 |
High Similarity | 0.932 | NPC196439 |
High Similarity | 0.932 | NPC213622 |
High Similarity | 0.932 | NPC138360 |
High Similarity | 0.932 | NPC201136 |
High Similarity | 0.932 | NPC214138 |
High Similarity | 0.932 | NPC50715 |
High Similarity | 0.932 | NPC163780 |
High Similarity | 0.932 | NPC183597 |
High Similarity | 0.932 | NPC201451 |
High Similarity | 0.932 | NPC256612 |
High Similarity | 0.932 | NPC26227 |
High Similarity | 0.932 | NPC167815 |
High Similarity | 0.932 | NPC146165 |
High Similarity | 0.932 | NPC227325 |
High Similarity | 0.932 | NPC20830 |
High Similarity | 0.932 | NPC4455 |
High Similarity | 0.932 | NPC280339 |
High Similarity | 0.932 | NPC133392 |
High Similarity | 0.9315 | NPC123886 |
High Similarity | 0.9315 | NPC249570 |
High Similarity | 0.9315 | NPC142540 |
High Similarity | 0.9315 | NPC199100 |
High Similarity | 0.9315 | NPC61506 |
High Similarity | 0.9315 | NPC240476 |
High Similarity | 0.9315 | NPC471982 |
High Similarity | 0.9315 | NPC180234 |
High Similarity | 0.9315 | NPC246162 |
High Similarity | 0.9315 | NPC9743 |
High Similarity | 0.9315 | NPC36835 |
High Similarity | 0.9315 | NPC302950 |
High Similarity | 0.9315 | NPC219582 |
High Similarity | 0.9315 | NPC260491 |
High Similarity | 0.9315 | NPC236637 |
High Similarity | 0.9315 | NPC120537 |
High Similarity | 0.931 | NPC29231 |
High Similarity | 0.931 | NPC306821 |
High Similarity | 0.931 | NPC166753 |
High Similarity | 0.931 | NPC50728 |
High Similarity | 0.931 | NPC248102 |
High Similarity | 0.9306 | NPC218490 |
High Similarity | 0.9291 | NPC301178 |
High Similarity | 0.9291 | NPC284556 |
High Similarity | 0.927 | NPC78540 |
High Similarity | 0.927 | NPC274121 |
High Similarity | 0.927 | NPC213216 |
High Similarity | 0.927 | NPC50898 |
High Similarity | 0.9257 | NPC43243 |
High Similarity | 0.9257 | NPC471985 |
High Similarity | 0.9257 | NPC245546 |
High Similarity | 0.9257 | NPC276444 |
High Similarity | 0.9257 | NPC247017 |
High Similarity | 0.9257 | NPC266960 |
High Similarity | 0.9257 | NPC49824 |
High Similarity | 0.9257 | NPC3980 |
High Similarity | 0.9257 | NPC153512 |
High Similarity | 0.9257 | NPC265511 |
High Similarity | 0.9257 | NPC98661 |
High Similarity | 0.9252 | NPC18727 |
High Similarity | 0.9252 | NPC167091 |
High Similarity | 0.9252 | NPC213896 |
High Similarity | 0.9252 | NPC141212 |
High Similarity | 0.9252 | NPC276409 |
High Similarity | 0.9252 | NPC325028 |
High Similarity | 0.9252 | NPC192083 |
High Similarity | 0.9252 | NPC246328 |
High Similarity | 0.9252 | NPC162351 |
High Similarity | 0.9252 | NPC292214 |
High Similarity | 0.9252 | NPC250822 |
Molecular Weight   | 286.05 |
ALogP   | -2.3448 |
MLogP   | 2.45 |
XLogP   | 1.033 |
HDA   | 1 |
HBD   | 4 |
Rotatable Bonds   | 5 |
TPSA   | 107.22 |
RO5 Violation   | 0 |