Drug ID:   | NPD1512 |
Drug Name:   | |
Molecular Formula:   | C15H10O7 |
Canonical SMILES:   | Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O |
Standard InCHI:   | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
Standard InCHIKey:   | REFJWTPEDVJJIY-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 | NPC20791 |
High Similarity | 1.0 | NPC179271 |
High Similarity | 0.9929 | NPC51443 |
High Similarity | 0.9929 | NPC74881 |
High Similarity | 0.9857 | NPC169749 |
High Similarity | 0.9856 | NPC279121 |
High Similarity | 0.9789 | NPC87125 |
High Similarity | 0.9789 | NPC270465 |
High Similarity | 0.9789 | NPC195351 |
High Similarity | 0.9786 | NPC70136 |
High Similarity | 0.9784 | NPC175013 |
High Similarity | 0.972 | NPC149127 |
High Similarity | 0.972 | NPC286342 |
High Similarity | 0.972 | NPC188871 |
High Similarity | 0.972 | NPC77858 |
High Similarity | 0.9653 | NPC252933 |
High Similarity | 0.9653 | NPC54394 |
High Similarity | 0.9653 | NPC200740 |
High Similarity | 0.9653 | NPC260895 |
High Similarity | 0.9653 | NPC125062 |
High Similarity | 0.9653 | NPC225731 |
High Similarity | 0.9648 | NPC108406 |
High Similarity | 0.9648 | NPC239312 |
High Similarity | 0.9648 | NPC130230 |
High Similarity | 0.9648 | NPC275772 |
High Similarity | 0.9586 | NPC63187 |
High Similarity | 0.9586 | NPC157784 |
High Similarity | 0.9586 | NPC82325 |
High Similarity | 0.9586 | NPC55205 |
High Similarity | 0.9586 | NPC279989 |
High Similarity | 0.9586 | NPC37684 |
High Similarity | 0.9586 | NPC27208 |
High Similarity | 0.958 | NPC12367 |
High Similarity | 0.958 | NPC119059 |
High Similarity | 0.958 | NPC118726 |
High Similarity | 0.958 | NPC19545 |
High Similarity | 0.9521 | NPC270620 |
High Similarity | 0.9521 | NPC78326 |
High Similarity | 0.9521 | NPC179126 |
High Similarity | 0.9521 | NPC236223 |
High Similarity | 0.9517 | NPC59162 |
High Similarity | 0.9517 | NPC304295 |
High Similarity | 0.9517 | NPC28274 |
High Similarity | 0.9517 | NPC205046 |
High Similarity | 0.9517 | NPC133953 |
High Similarity | 0.9517 | NPC50403 |
High Similarity | 0.9514 | NPC137062 |
High Similarity | 0.9514 | NPC159103 |
High Similarity | 0.9514 | NPC296197 |
High Similarity | 0.9514 | NPC259713 |
High Similarity | 0.9514 | NPC223579 |
High Similarity | 0.9514 | NPC17286 |
High Similarity | 0.9514 | NPC216318 |
High Similarity | 0.9514 | NPC287101 |
High Similarity | 0.9514 | NPC183950 |
High Similarity | 0.9514 | NPC52005 |
High Similarity | 0.951 | NPC86847 |
High Similarity | 0.951 | NPC140840 |
High Similarity | 0.951 | NPC168803 |
High Similarity | 0.9456 | NPC44079 |
High Similarity | 0.9456 | NPC26227 |
High Similarity | 0.9456 | NPC56786 |
High Similarity | 0.9456 | NPC201451 |
High Similarity | 0.9456 | NPC133392 |
High Similarity | 0.9456 | NPC80534 |
High Similarity | 0.9456 | NPC214138 |
High Similarity | 0.9452 | NPC61506 |
High Similarity | 0.9452 | NPC123886 |
High Similarity | 0.9452 | NPC240476 |
High Similarity | 0.9452 | NPC260491 |
High Similarity | 0.9452 | NPC9743 |
High Similarity | 0.9452 | NPC36835 |
High Similarity | 0.9452 | NPC246162 |
High Similarity | 0.9448 | NPC88804 |
High Similarity | 0.9448 | NPC184136 |
High Similarity | 0.9448 | NPC45873 |
High Similarity | 0.9448 | NPC3825 |
High Similarity | 0.9448 | NPC50728 |
High Similarity | 0.9448 | NPC166753 |
High Similarity | 0.9444 | NPC294852 |
High Similarity | 0.9444 | NPC321011 |
High Similarity | 0.9444 | NPC120464 |
High Similarity | 0.9444 | NPC276930 |
High Similarity | 0.9444 | NPC188679 |
High Similarity | 0.9392 | NPC3980 |
High Similarity | 0.9392 | NPC247017 |
High Similarity | 0.9392 | NPC245546 |
High Similarity | 0.9392 | NPC98661 |
High Similarity | 0.9392 | NPC153512 |
High Similarity | 0.9392 | NPC49824 |
High Similarity | 0.9392 | NPC265511 |
High Similarity | 0.9392 | NPC266960 |
High Similarity | 0.9392 | NPC43243 |
High Similarity | 0.9388 | NPC325028 |
High Similarity | 0.9388 | NPC256346 |
High Similarity | 0.9388 | NPC162351 |
High Similarity | 0.9388 | NPC27532 |
High Similarity | 0.9388 | NPC141212 |
High Similarity | 0.9388 | NPC58382 |
High Similarity | 0.9388 | NPC246328 |
High Similarity | 0.9384 | NPC236769 |
High Similarity | 0.9379 | NPC48479 |
High Similarity | 0.9379 | NPC177298 |
High Similarity | 0.9379 | NPC1612 |
High Similarity | 0.9379 | NPC183959 |
High Similarity | 0.9375 | NPC95864 |
High Similarity | 0.9375 | NPC12200 |
High Similarity | 0.9353 | NPC281917 |
High Similarity | 0.9353 | NPC187432 |
High Similarity | 0.9353 | NPC256042 |
High Similarity | 0.9353 | NPC116775 |
High Similarity | 0.9353 | NPC216361 |
High Similarity | 0.9329 | NPC176665 |
High Similarity | 0.9329 | NPC224137 |
High Similarity | 0.9329 | NPC287979 |
High Similarity | 0.9329 | NPC305663 |
High Similarity | 0.9329 | NPC227192 |
High Similarity | 0.9329 | NPC203891 |
High Similarity | 0.9329 | NPC189179 |
High Similarity | 0.9329 | NPC110070 |
High Similarity | 0.9329 | NPC75215 |
High Similarity | 0.9329 | NPC163524 |
High Similarity | 0.9329 | NPC101830 |
High Similarity | 0.9329 | NPC93376 |
High Similarity | 0.9329 | NPC174908 |
High Similarity | 0.9329 | NPC237418 |
High Similarity | 0.9329 | NPC273843 |
High Similarity | 0.932 | NPC275722 |
High Similarity | 0.932 | NPC39732 |
High Similarity | 0.932 | NPC239128 |
High Similarity | 0.932 | NPC198826 |
High Similarity | 0.932 | NPC19721 |
High Similarity | 0.932 | NPC120163 |
High Similarity | 0.932 | NPC71334 |
High Similarity | 0.932 | NPC187498 |
High Similarity | 0.932 | NPC100887 |
High Similarity | 0.932 | NPC212678 |
High Similarity | 0.932 | NPC222830 |
High Similarity | 0.932 | NPC57030 |
High Similarity | 0.932 | NPC25270 |
High Similarity | 0.932 | NPC301323 |
High Similarity | 0.932 | NPC188203 |
High Similarity | 0.932 | NPC156222 |
High Similarity | 0.932 | NPC83508 |
High Similarity | 0.932 | NPC293183 |
High Similarity | 0.932 | NPC256283 |
High Similarity | 0.932 | NPC241498 |
High Similarity | 0.932 | NPC275836 |
High Similarity | 0.932 | NPC60972 |
High Similarity | 0.932 | NPC131624 |
High Similarity | 0.932 | NPC301123 |
High Similarity | 0.932 | NPC162313 |
High Similarity | 0.9315 | NPC219330 |
High Similarity | 0.9315 | NPC62042 |
High Similarity | 0.9315 | NPC260582 |
High Similarity | 0.9315 | NPC61620 |
High Similarity | 0.931 | NPC194856 |
High Similarity | 0.931 | NPC195202 |
High Similarity | 0.931 | NPC196277 |
High Similarity | 0.931 | NPC272721 |
High Similarity | 0.931 | NPC43669 |
High Similarity | 0.931 | NPC261548 |
High Similarity | 0.931 | NPC3036 |
High Similarity | 0.9301 | NPC242893 |
High Similarity | 0.9301 | NPC38065 |
High Similarity | 0.9286 | NPC299379 |
High Similarity | 0.9267 | NPC22472 |
High Similarity | 0.9267 | NPC9609 |
High Similarity | 0.9267 | NPC130894 |
High Similarity | 0.9267 | NPC7846 |
High Similarity | 0.9267 | NPC300943 |
High Similarity | 0.9267 | NPC191459 |
High Similarity | 0.9267 | NPC288669 |
High Similarity | 0.9267 | NPC152166 |
High Similarity | 0.9267 | NPC204854 |
High Similarity | 0.9267 | NPC105242 |
High Similarity | 0.9267 | NPC115798 |
High Similarity | 0.9267 | NPC18772 |
High Similarity | 0.9267 | NPC25495 |
High Similarity | 0.9267 | NPC261004 |
High Similarity | 0.9267 | NPC19687 |
High Similarity | 0.9267 | NPC18607 |
High Similarity | 0.9267 | NPC143828 |
High Similarity | 0.9267 | NPC280680 |
High Similarity | 0.9267 | NPC4481 |
High Similarity | 0.9267 | NPC176300 |
High Similarity | 0.9267 | NPC253634 |
High Similarity | 0.9262 | NPC326037 |
High Similarity | 0.9262 | NPC100916 |
High Similarity | 0.9262 | NPC201837 |
High Similarity | 0.9262 | NPC475799 |
High Similarity | 0.9262 | NPC13779 |
High Similarity | 0.9262 | NPC13858 |
High Similarity | 0.9262 | NPC471500 |
High Similarity | 0.9262 | NPC474638 |
High Similarity | 0.9262 | NPC55619 |
High Similarity | 0.9262 | NPC292107 |
High Similarity | 0.9262 | NPC200388 |
High Similarity | 0.9262 | NPC320825 |
High Similarity | 0.9262 | NPC474520 |
Molecular Weight   | 302.04 |
ALogP   | -2.8012 |
MLogP   | 2.34 |
XLogP   | 1.381 |
HDA   | 2 |
HBD   | 5 |
Rotatable Bonds   | 6 |
TPSA   | 127.45 |
RO5 Violation   | 0 |