Drug ID:   | NPD9094 |
Drug Name:   | Pyrogallol |
Molecular Formula:   | C6H6O3 |
Canonical SMILES:   | Oc1c(O)cccc1O |
Standard InCHI:   | InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H |
Standard InCHIKey:   | WQGWDDDVZFFDIG-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 | NPC280254 |
High Similarity | 0.9647 | NPC288923 |
High Similarity | 0.9268 | NPC270094 |
High Similarity | 0.9146 | NPC4154 |
High Similarity | 0.9146 | NPC204932 |
Intermediate Similarity | 0.8454 | NPC307875 |
Intermediate Similarity | 0.8293 | NPC100980 |
Intermediate Similarity | 0.8283 | NPC124712 |
Intermediate Similarity | 0.8283 | NPC176527 |
Intermediate Similarity | 0.82 | NPC105727 |
Intermediate Similarity | 0.82 | NPC114392 |
Intermediate Similarity | 0.82 | NPC34864 |
Intermediate Similarity | 0.82 | NPC58427 |
Intermediate Similarity | 0.8118 | NPC65517 |
Intermediate Similarity | 0.8085 | NPC16649 |
Intermediate Similarity | 0.7979 | NPC295295 |
Intermediate Similarity | 0.7961 | NPC268032 |
Intermediate Similarity | 0.7895 | NPC114325 |
Intermediate Similarity | 0.7835 | NPC291789 |
Intermediate Similarity | 0.7822 | NPC232654 |
Intermediate Similarity | 0.7812 | NPC107522 |
Intermediate Similarity | 0.7755 | NPC80027 |
Intermediate Similarity | 0.7692 | NPC247871 |
Intermediate Similarity | 0.7677 | NPC166761 |
Intermediate Similarity | 0.7677 | NPC248573 |
Intermediate Similarity | 0.7677 | NPC275053 |
Intermediate Similarity | 0.7677 | NPC161571 |
Intermediate Similarity | 0.7677 | NPC10588 |
Intermediate Similarity | 0.7653 | NPC109955 |
Intermediate Similarity | 0.7624 | NPC12278 |
Intermediate Similarity | 0.76 | NPC100340 |
Intermediate Similarity | 0.76 | NPC72947 |
Intermediate Similarity | 0.76 | NPC284011 |
Intermediate Similarity | 0.76 | NPC143659 |
Intermediate Similarity | 0.7576 | NPC131587 |
Intermediate Similarity | 0.7576 | NPC314803 |
Intermediate Similarity | 0.7525 | NPC53051 |
Intermediate Similarity | 0.7525 | NPC146798 |
Intermediate Similarity | 0.7525 | NPC71002 |
Intermediate Similarity | 0.7525 | NPC168303 |
Intermediate Similarity | 0.7525 | NPC242342 |
Intermediate Similarity | 0.7525 | NPC302219 |
Intermediate Similarity | 0.7525 | NPC94351 |
Intermediate Similarity | 0.7525 | NPC24404 |
Intermediate Similarity | 0.7525 | NPC106396 |
Intermediate Similarity | 0.7525 | NPC222522 |
Intermediate Similarity | 0.7525 | NPC313030 |
Intermediate Similarity | 0.7525 | NPC249828 |
Intermediate Similarity | 0.7525 | NPC85479 |
Intermediate Similarity | 0.7523 | NPC259638 |
Intermediate Similarity | 0.75 | NPC472893 |
Intermediate Similarity | 0.75 | NPC223393 |
Intermediate Similarity | 0.7474 | NPC302546 |
Intermediate Similarity | 0.7455 | NPC144343 |
Intermediate Similarity | 0.7451 | NPC241891 |
Intermediate Similarity | 0.7451 | NPC30506 |
Intermediate Similarity | 0.7451 | NPC102216 |
Intermediate Similarity | 0.7451 | NPC119860 |
Intermediate Similarity | 0.7431 | NPC193067 |
Intermediate Similarity | 0.7426 | NPC137415 |
Intermediate Similarity | 0.7426 | NPC166313 |
Intermediate Similarity | 0.7426 | NPC24407 |
Intermediate Similarity | 0.7426 | NPC147310 |
Intermediate Similarity | 0.7426 | NPC192032 |
Intermediate Similarity | 0.7426 | NPC11280 |
Intermediate Similarity | 0.7426 | NPC294186 |
Intermediate Similarity | 0.7426 | NPC110764 |
Intermediate Similarity | 0.7412 | NPC215445 |
Intermediate Similarity | 0.7396 | NPC300478 |
Intermediate Similarity | 0.7396 | NPC47950 |
Intermediate Similarity | 0.7387 | NPC217174 |
Intermediate Similarity | 0.7387 | NPC20674 |
Intermediate Similarity | 0.7387 | NPC226629 |
Intermediate Similarity | 0.7379 | NPC292452 |
Intermediate Similarity | 0.7379 | NPC474839 |
Intermediate Similarity | 0.7379 | NPC134829 |
Intermediate Similarity | 0.7368 | NPC47422 |
Intermediate Similarity | 0.7364 | NPC151617 |
Intermediate Similarity | 0.7364 | NPC76915 |
Intermediate Similarity | 0.7364 | NPC277588 |
Intermediate Similarity | 0.7353 | NPC477801 |
Intermediate Similarity | 0.7353 | NPC196479 |
Intermediate Similarity | 0.7353 | NPC477802 |
Intermediate Similarity | 0.7321 | NPC229401 |
Intermediate Similarity | 0.7321 | NPC232084 |
Intermediate Similarity | 0.7321 | NPC61516 |
Intermediate Similarity | 0.7321 | NPC10932 |
Intermediate Similarity | 0.7321 | NPC247364 |
Intermediate Similarity | 0.7321 | NPC472071 |
Intermediate Similarity | 0.7312 | NPC319826 |
Intermediate Similarity | 0.7312 | NPC33756 |
Intermediate Similarity | 0.7312 | NPC38459 |
Intermediate Similarity | 0.7312 | NPC124436 |
Intermediate Similarity | 0.7312 | NPC265146 |
Intermediate Similarity | 0.7308 | NPC473653 |
Intermediate Similarity | 0.7308 | NPC248904 |
Intermediate Similarity | 0.7308 | NPC470700 |
Intermediate Similarity | 0.7308 | NPC302681 |
Intermediate Similarity | 0.7308 | NPC39664 |
Intermediate Similarity | 0.7308 | NPC39097 |
Intermediate Similarity | 0.7308 | NPC118286 |
Intermediate Similarity | 0.7308 | NPC109691 |
Intermediate Similarity | 0.7303 | NPC322285 |
Intermediate Similarity | 0.7282 | NPC52087 |
Intermediate Similarity | 0.7282 | NPC120719 |
Intermediate Similarity | 0.7282 | NPC218879 |
Intermediate Similarity | 0.7282 | NPC79672 |
Intermediate Similarity | 0.7282 | NPC471511 |
Intermediate Similarity | 0.7282 | NPC244513 |
Intermediate Similarity | 0.7282 | NPC227458 |
Intermediate Similarity | 0.7264 | NPC71266 |
Intermediate Similarity | 0.7257 | NPC24125 |
Intermediate Similarity | 0.7238 | NPC54844 |
Intermediate Similarity | 0.7238 | NPC305603 |
Intermediate Similarity | 0.7238 | NPC61033 |
Intermediate Similarity | 0.7238 | NPC232523 |
Intermediate Similarity | 0.7238 | NPC204901 |
Intermediate Similarity | 0.7238 | NPC158253 |
Intermediate Similarity | 0.7234 | NPC286904 |
Intermediate Similarity | 0.7234 | NPC248817 |
Intermediate Similarity | 0.7234 | NPC150837 |
Intermediate Similarity | 0.7234 | NPC175313 |
Intermediate Similarity | 0.7232 | NPC191866 |
Intermediate Similarity | 0.7232 | NPC214289 |
Intermediate Similarity | 0.7212 | NPC37802 |
Intermediate Similarity | 0.7212 | NPC239291 |
Intermediate Similarity | 0.7212 | NPC246056 |
Intermediate Similarity | 0.7193 | NPC237667 |
Intermediate Similarity | 0.7188 | NPC157213 |
Intermediate Similarity | 0.7188 | NPC104216 |
Intermediate Similarity | 0.717 | NPC61885 |
Intermediate Similarity | 0.717 | NPC63698 |
Intermediate Similarity | 0.717 | NPC174981 |
Intermediate Similarity | 0.7158 | NPC155393 |
Intermediate Similarity | 0.7158 | NPC197783 |
Intermediate Similarity | 0.7143 | NPC164576 |
Intermediate Similarity | 0.7143 | NPC1075 |
Intermediate Similarity | 0.7143 | NPC1786 |
Intermediate Similarity | 0.7143 | NPC201662 |
Intermediate Similarity | 0.7143 | NPC99836 |
Intermediate Similarity | 0.7143 | NPC19149 |
Intermediate Similarity | 0.7143 | NPC294902 |
Intermediate Similarity | 0.7143 | NPC12640 |
Intermediate Similarity | 0.7143 | NPC477814 |
Intermediate Similarity | 0.713 | NPC474864 |
Intermediate Similarity | 0.713 | NPC71579 |
Intermediate Similarity | 0.713 | NPC473411 |
Intermediate Similarity | 0.713 | NPC41562 |
Intermediate Similarity | 0.713 | NPC262253 |
Intermediate Similarity | 0.7105 | NPC205850 |
Intermediate Similarity | 0.7103 | NPC33728 |
Intermediate Similarity | 0.7103 | NPC19808 |
Intermediate Similarity | 0.7103 | NPC202647 |
Intermediate Similarity | 0.71 | NPC313650 |
Intermediate Similarity | 0.7083 | NPC23167 |
Intermediate Similarity | 0.7083 | NPC407 |
Intermediate Similarity | 0.7083 | NPC184169 |
Intermediate Similarity | 0.7083 | NPC206876 |
Intermediate Similarity | 0.7083 | NPC307235 |
Intermediate Similarity | 0.7069 | NPC136319 |
Intermediate Similarity | 0.7069 | NPC121115 |
Intermediate Similarity | 0.7069 | NPC228922 |
Intermediate Similarity | 0.7069 | NPC238810 |
Intermediate Similarity | 0.7069 | NPC53567 |
Intermediate Similarity | 0.7069 | NPC84086 |
Intermediate Similarity | 0.7069 | NPC197757 |
Intermediate Similarity | 0.7069 | NPC95168 |
Intermediate Similarity | 0.7043 | NPC49341 |
Intermediate Similarity | 0.7043 | NPC39029 |
Intermediate Similarity | 0.7043 | NPC145780 |
Intermediate Similarity | 0.7041 | NPC300017 |
Intermediate Similarity | 0.7041 | NPC312304 |
Intermediate Similarity | 0.7041 | NPC277758 |
Intermediate Similarity | 0.7037 | NPC94045 |
Intermediate Similarity | 0.7037 | NPC475018 |
Intermediate Similarity | 0.7018 | NPC474565 |
Intermediate Similarity | 0.701 | NPC25493 |
Intermediate Similarity | 0.701 | NPC27974 |
Intermediate Similarity | 0.701 | NPC113460 |
Intermediate Similarity | 0.7009 | NPC5796 |
Intermediate Similarity | 0.7009 | NPC228972 |
Intermediate Similarity | 0.7009 | NPC221090 |
Intermediate Similarity | 0.7009 | NPC187958 |
Intermediate Similarity | 0.7009 | NPC183446 |
Intermediate Similarity | 0.7009 | NPC233835 |
Intermediate Similarity | 0.7009 | NPC206487 |
Intermediate Similarity | 0.7009 | NPC122792 |
Intermediate Similarity | 0.7 | NPC264558 |
Intermediate Similarity | 0.7 | NPC471485 |
Remote Similarity | 0.6983 | NPC105147 |
Remote Similarity | 0.6983 | NPC225710 |
Remote Similarity | 0.6983 | NPC135414 |
Remote Similarity | 0.6983 | NPC228875 |
Remote Similarity | 0.6983 | NPC246967 |
Remote Similarity | 0.6983 | NPC126216 |
Remote Similarity | 0.6979 | NPC252149 |
Remote Similarity | 0.6972 | NPC165770 |
Remote Similarity | 0.6972 | NPC476632 |
Remote Similarity | 0.6972 | NPC90520 |
Remote Similarity | 0.6972 | NPC224527 |
Molecular Weight   | 126.03 |
ALogP   | -1.3809 |
MLogP   | 1.79 |
XLogP   | 0.765 |
HDA   | 0 |
HBD   | 3 |
Rotatable Bonds   | 3 |
TPSA   | 60.69 |
RO5 Violation   | 0 |