Drug ID:   | NPD9295 |
Drug Name:   | Mequinol |
Molecular Formula:   | C7H8O2 |
Canonical SMILES:   | COc1ccc(cc1)O |
Standard InCHI:   | InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3 |
Standard InCHIKey:   | NWVVVBRKAWDGAB-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL; IUPHAR/BPS |
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 | NPC157213 |
High Similarity | 0.9286 | NPC23837 |
High Similarity | 0.8916 | NPC124576 |
High Similarity | 0.8817 | NPC307039 |
High Similarity | 0.8791 | NPC16649 |
High Similarity | 0.8791 | NPC114325 |
High Similarity | 0.8675 | NPC65517 |
Intermediate Similarity | 0.8384 | NPC233320 |
Intermediate Similarity | 0.8384 | NPC124712 |
Intermediate Similarity | 0.8333 | NPC206876 |
Intermediate Similarity | 0.8283 | NPC232654 |
Intermediate Similarity | 0.8261 | NPC318429 |
Intermediate Similarity | 0.8229 | NPC314803 |
Intermediate Similarity | 0.8193 | NPC100980 |
Intermediate Similarity | 0.8152 | NPC302546 |
Intermediate Similarity | 0.8119 | NPC241549 |
Intermediate Similarity | 0.8081 | NPC474603 |
Intermediate Similarity | 0.8081 | NPC12987 |
Intermediate Similarity | 0.8058 | NPC275627 |
Intermediate Similarity | 0.8043 | NPC47422 |
Intermediate Similarity | 0.8041 | NPC100870 |
Intermediate Similarity | 0.8 | NPC307875 |
Intermediate Similarity | 0.8 | NPC17537 |
Intermediate Similarity | 0.8 | NPC125306 |
Intermediate Similarity | 0.798 | NPC305205 |
Intermediate Similarity | 0.7957 | NPC259134 |
Intermediate Similarity | 0.7957 | NPC177844 |
Intermediate Similarity | 0.7957 | NPC8002 |
Intermediate Similarity | 0.7957 | NPC99886 |
Intermediate Similarity | 0.7921 | NPC113457 |
Intermediate Similarity | 0.7921 | NPC473653 |
Intermediate Similarity | 0.79 | NPC130817 |
Intermediate Similarity | 0.7885 | NPC266932 |
Intermediate Similarity | 0.7879 | NPC51633 |
Intermediate Similarity | 0.7872 | NPC71853 |
Intermediate Similarity | 0.781 | NPC474920 |
Intermediate Similarity | 0.781 | NPC98372 |
Intermediate Similarity | 0.78 | NPC192596 |
Intermediate Similarity | 0.7789 | NPC321956 |
Intermediate Similarity | 0.7788 | NPC247871 |
Intermediate Similarity | 0.7767 | NPC201959 |
Intermediate Similarity | 0.7767 | NPC75440 |
Intermediate Similarity | 0.7753 | NPC204932 |
Intermediate Similarity | 0.7745 | NPC164576 |
Intermediate Similarity | 0.7723 | NPC108875 |
Intermediate Similarity | 0.7723 | NPC2518 |
Intermediate Similarity | 0.7723 | NPC38079 |
Intermediate Similarity | 0.7708 | NPC29373 |
Intermediate Similarity | 0.7692 | NPC233731 |
Intermediate Similarity | 0.7692 | NPC7097 |
Intermediate Similarity | 0.7692 | NPC246358 |
Intermediate Similarity | 0.7692 | NPC36108 |
Intermediate Similarity | 0.7685 | NPC154256 |
Intermediate Similarity | 0.7685 | NPC290470 |
Intermediate Similarity | 0.7677 | NPC132725 |
Intermediate Similarity | 0.767 | NPC251306 |
Intermediate Similarity | 0.7667 | NPC270094 |
Intermediate Similarity | 0.7664 | NPC142319 |
Intermediate Similarity | 0.7647 | NPC227255 |
Intermediate Similarity | 0.7647 | NPC8302 |
Intermediate Similarity | 0.7647 | NPC470393 |
Intermediate Similarity | 0.7647 | NPC288760 |
Intermediate Similarity | 0.7629 | NPC471581 |
Intermediate Similarity | 0.7619 | NPC94045 |
Intermediate Similarity | 0.7609 | NPC124436 |
Intermediate Similarity | 0.7593 | NPC301321 |
Intermediate Similarity | 0.7593 | NPC473718 |
Intermediate Similarity | 0.7576 | NPC175298 |
Intermediate Similarity | 0.7556 | NPC4154 |
Intermediate Similarity | 0.7547 | NPC78918 |
Intermediate Similarity | 0.7547 | NPC90520 |
Intermediate Similarity | 0.7547 | NPC139617 |
Intermediate Similarity | 0.7547 | NPC156840 |
Intermediate Similarity | 0.7547 | NPC257124 |
Intermediate Similarity | 0.7547 | NPC173746 |
Intermediate Similarity | 0.7547 | NPC296920 |
Intermediate Similarity | 0.7547 | NPC195873 |
Intermediate Similarity | 0.7547 | NPC8547 |
Intermediate Similarity | 0.7527 | NPC150837 |
Intermediate Similarity | 0.7527 | NPC286904 |
Intermediate Similarity | 0.7527 | NPC248817 |
Intermediate Similarity | 0.75 | NPC312304 |
Intermediate Similarity | 0.75 | NPC194034 |
Intermediate Similarity | 0.75 | NPC227894 |
Intermediate Similarity | 0.75 | NPC470837 |
Intermediate Similarity | 0.75 | NPC288923 |
Intermediate Similarity | 0.75 | NPC171843 |
Intermediate Similarity | 0.7477 | NPC280606 |
Intermediate Similarity | 0.7474 | NPC104216 |
Intermediate Similarity | 0.7453 | NPC168657 |
Intermediate Similarity | 0.7453 | NPC46844 |
Intermediate Similarity | 0.7447 | NPC197783 |
Intermediate Similarity | 0.7429 | NPC169450 |
Intermediate Similarity | 0.7426 | NPC253746 |
Intermediate Similarity | 0.7426 | NPC13755 |
Intermediate Similarity | 0.7419 | NPC265146 |
Intermediate Similarity | 0.7407 | NPC141003 |
Intermediate Similarity | 0.7407 | NPC35344 |
Intermediate Similarity | 0.7404 | NPC41594 |
Intermediate Similarity | 0.7404 | NPC30416 |
Intermediate Similarity | 0.74 | NPC470161 |
Intermediate Similarity | 0.74 | NPC313918 |
Intermediate Similarity | 0.74 | NPC475078 |
Intermediate Similarity | 0.74 | NPC88420 |
Intermediate Similarity | 0.74 | NPC152097 |
Intermediate Similarity | 0.7387 | NPC283616 |
Intermediate Similarity | 0.7368 | NPC307235 |
Intermediate Similarity | 0.7368 | NPC407 |
Intermediate Similarity | 0.7368 | NPC23167 |
Intermediate Similarity | 0.7368 | NPC184169 |
Intermediate Similarity | 0.7364 | NPC69539 |
Intermediate Similarity | 0.7358 | NPC474272 |
Intermediate Similarity | 0.7358 | NPC234639 |
Intermediate Similarity | 0.7353 | NPC94343 |
Intermediate Similarity | 0.7353 | NPC12714 |
Intermediate Similarity | 0.7353 | NPC300166 |
Intermediate Similarity | 0.7353 | NPC84325 |
Intermediate Similarity | 0.7353 | NPC310905 |
Intermediate Similarity | 0.7347 | NPC325292 |
Intermediate Similarity | 0.7347 | NPC138117 |
Intermediate Similarity | 0.7345 | NPC129176 |
Intermediate Similarity | 0.7345 | NPC473875 |
Intermediate Similarity | 0.7345 | NPC100108 |
Intermediate Similarity | 0.7345 | NPC277798 |
Intermediate Similarity | 0.7345 | NPC475529 |
Intermediate Similarity | 0.734 | NPC175313 |
Intermediate Similarity | 0.7339 | NPC180508 |
Intermediate Similarity | 0.7339 | NPC276737 |
Intermediate Similarity | 0.7339 | NPC22610 |
Intermediate Similarity | 0.7339 | NPC228287 |
Intermediate Similarity | 0.7327 | NPC260775 |
Intermediate Similarity | 0.7327 | NPC471576 |
Intermediate Similarity | 0.7326 | NPC215445 |
Intermediate Similarity | 0.7321 | NPC51341 |
Intermediate Similarity | 0.7321 | NPC471449 |
Intermediate Similarity | 0.7321 | NPC32152 |
Intermediate Similarity | 0.732 | NPC47950 |
Intermediate Similarity | 0.732 | NPC300017 |
Intermediate Similarity | 0.732 | NPC300478 |
Intermediate Similarity | 0.7308 | NPC127676 |
Intermediate Similarity | 0.7297 | NPC187993 |
Intermediate Similarity | 0.7297 | NPC238176 |
Intermediate Similarity | 0.7292 | NPC25493 |
Intermediate Similarity | 0.7292 | NPC27974 |
Intermediate Similarity | 0.7292 | NPC113460 |
Intermediate Similarity | 0.729 | NPC95977 |
Intermediate Similarity | 0.729 | NPC137685 |
Intermediate Similarity | 0.7282 | NPC179686 |
Intermediate Similarity | 0.7282 | NPC304638 |
Intermediate Similarity | 0.7282 | NPC298224 |
Intermediate Similarity | 0.7281 | NPC476165 |
Intermediate Similarity | 0.7281 | NPC285289 |
Intermediate Similarity | 0.7273 | NPC167934 |
Intermediate Similarity | 0.7273 | NPC464 |
Intermediate Similarity | 0.7273 | NPC185541 |
Intermediate Similarity | 0.7273 | NPC808 |
Intermediate Similarity | 0.7273 | NPC53906 |
Intermediate Similarity | 0.7273 | NPC296526 |
Intermediate Similarity | 0.7264 | NPC146530 |
Intermediate Similarity | 0.7263 | NPC155393 |
Intermediate Similarity | 0.7257 | NPC14177 |
Intermediate Similarity | 0.7257 | NPC474131 |
Intermediate Similarity | 0.7257 | NPC232295 |
Intermediate Similarity | 0.7255 | NPC129373 |
Intermediate Similarity | 0.7255 | NPC12931 |
Intermediate Similarity | 0.7255 | NPC130756 |
Intermediate Similarity | 0.7255 | NPC130103 |
Intermediate Similarity | 0.7255 | NPC70677 |
Intermediate Similarity | 0.7255 | NPC248396 |
Intermediate Similarity | 0.7255 | NPC48730 |
Intermediate Similarity | 0.7255 | NPC107101 |
Intermediate Similarity | 0.7245 | NPC270547 |
Intermediate Similarity | 0.7234 | NPC33756 |
Intermediate Similarity | 0.7234 | NPC319826 |
Intermediate Similarity | 0.7234 | NPC38459 |
Intermediate Similarity | 0.7228 | NPC95755 |
Intermediate Similarity | 0.7228 | NPC474073 |
Intermediate Similarity | 0.7222 | NPC255068 |
Intermediate Similarity | 0.7222 | NPC55300 |
Intermediate Similarity | 0.7222 | NPC166837 |
Intermediate Similarity | 0.7222 | NPC322285 |
Intermediate Similarity | 0.7217 | NPC474864 |
Intermediate Similarity | 0.7216 | NPC98772 |
Intermediate Similarity | 0.7216 | NPC123273 |
Intermediate Similarity | 0.7216 | NPC258219 |
Intermediate Similarity | 0.7216 | NPC280347 |
Intermediate Similarity | 0.7216 | NPC318325 |
Intermediate Similarity | 0.7216 | NPC177420 |
Intermediate Similarity | 0.7216 | NPC242240 |
Intermediate Similarity | 0.7212 | NPC109637 |
Intermediate Similarity | 0.7212 | NPC38209 |
Intermediate Similarity | 0.7212 | NPC292792 |
Intermediate Similarity | 0.7212 | NPC283546 |
Intermediate Similarity | 0.7207 | NPC141090 |
Intermediate Similarity | 0.7207 | NPC203113 |
Intermediate Similarity | 0.7207 | NPC229147 |
Intermediate Similarity | 0.7207 | NPC54507 |
Intermediate Similarity | 0.7207 | NPC163398 |
Intermediate Similarity | 0.7207 | NPC221049 |
Intermediate Similarity | 0.7207 | NPC85292 |
TTD   | |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | 6827 |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 124.05 |
ALogP   | -0.5121 |
MLogP   | 2.01 |
XLogP   | 1.389 |
HDA   | 0 |
HBD   | 1 |
Rotatable Bonds   | 3 |
TPSA   | 29.46 |
RO5 Violation   | 0 |