Drug ID:   | NPD9296 |
Drug Name:   | Guaiacol |
Molecular Formula:   | C7H8O2 |
Canonical SMILES:   | COc1ccccc1O |
Standard InCHI:   | InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 |
Standard InCHIKey:   | LHGVFZTZFXWLCP-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | DrugBank |
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 | NPC114325 |
High Similarity | 0.9355 | NPC314803 |
High Similarity | 0.9101 | NPC206876 |
High Similarity | 0.9072 | NPC307875 |
High Similarity | 0.8889 | NPC124712 |
High Similarity | 0.8791 | NPC157213 |
High Similarity | 0.8713 | NPC233731 |
High Similarity | 0.8713 | NPC246358 |
High Similarity | 0.8713 | NPC36108 |
High Similarity | 0.8713 | NPC7097 |
High Similarity | 0.8544 | NPC195873 |
High Similarity | 0.8544 | NPC156840 |
High Similarity | 0.8544 | NPC139617 |
High Similarity | 0.8544 | NPC257124 |
High Similarity | 0.8544 | NPC8547 |
High Similarity | 0.8544 | NPC173746 |
High Similarity | 0.8544 | NPC78918 |
High Similarity | 0.8523 | NPC204932 |
Intermediate Similarity | 0.8416 | NPC232654 |
Intermediate Similarity | 0.8409 | NPC124576 |
Intermediate Similarity | 0.8404 | NPC318429 |
Intermediate Similarity | 0.8333 | NPC16649 |
Intermediate Similarity | 0.8155 | NPC227894 |
Intermediate Similarity | 0.8152 | NPC23837 |
Intermediate Similarity | 0.8148 | NPC221049 |
Intermediate Similarity | 0.8073 | NPC293619 |
Intermediate Similarity | 0.8073 | NPC39793 |
Intermediate Similarity | 0.8073 | NPC164386 |
Intermediate Similarity | 0.8073 | NPC259638 |
Intermediate Similarity | 0.8058 | NPC41594 |
Intermediate Similarity | 0.802 | NPC310905 |
Intermediate Similarity | 0.802 | NPC12714 |
Intermediate Similarity | 0.8 | NPC212743 |
Intermediate Similarity | 0.8 | NPC470626 |
Intermediate Similarity | 0.8 | NPC137537 |
Intermediate Similarity | 0.8 | NPC255675 |
Intermediate Similarity | 0.8 | NPC107588 |
Intermediate Similarity | 0.8 | NPC70744 |
Intermediate Similarity | 0.8 | NPC272471 |
Intermediate Similarity | 0.8 | NPC164706 |
Intermediate Similarity | 0.7982 | NPC193067 |
Intermediate Similarity | 0.7928 | NPC299406 |
Intermediate Similarity | 0.7928 | NPC24474 |
Intermediate Similarity | 0.7928 | NPC311595 |
Intermediate Similarity | 0.7928 | NPC320987 |
Intermediate Similarity | 0.7928 | NPC310338 |
Intermediate Similarity | 0.7928 | NPC20674 |
Intermediate Similarity | 0.7928 | NPC181969 |
Intermediate Similarity | 0.7928 | NPC281298 |
Intermediate Similarity | 0.7925 | NPC247871 |
Intermediate Similarity | 0.7925 | NPC137685 |
Intermediate Similarity | 0.7909 | NPC9248 |
Intermediate Similarity | 0.7895 | NPC280254 |
Intermediate Similarity | 0.7864 | NPC292792 |
Intermediate Similarity | 0.7857 | NPC148615 |
Intermediate Similarity | 0.7857 | NPC95614 |
Intermediate Similarity | 0.7857 | NPC165133 |
Intermediate Similarity | 0.7857 | NPC35071 |
Intermediate Similarity | 0.7857 | NPC229401 |
Intermediate Similarity | 0.7857 | NPC117780 |
Intermediate Similarity | 0.7857 | NPC232316 |
Intermediate Similarity | 0.7857 | NPC202474 |
Intermediate Similarity | 0.7857 | NPC242885 |
Intermediate Similarity | 0.7857 | NPC10932 |
Intermediate Similarity | 0.7857 | NPC232084 |
Intermediate Similarity | 0.7857 | NPC247364 |
Intermediate Similarity | 0.7857 | NPC2058 |
Intermediate Similarity | 0.7857 | NPC56214 |
Intermediate Similarity | 0.7857 | NPC177475 |
Intermediate Similarity | 0.7857 | NPC61516 |
Intermediate Similarity | 0.7857 | NPC227217 |
Intermediate Similarity | 0.785 | NPC55300 |
Intermediate Similarity | 0.7822 | NPC132725 |
Intermediate Similarity | 0.7822 | NPC307039 |
Intermediate Similarity | 0.7788 | NPC269843 |
Intermediate Similarity | 0.7788 | NPC60962 |
Intermediate Similarity | 0.7788 | NPC158949 |
Intermediate Similarity | 0.7788 | NPC207613 |
Intermediate Similarity | 0.7788 | NPC14007 |
Intermediate Similarity | 0.7788 | NPC224814 |
Intermediate Similarity | 0.7788 | NPC189844 |
Intermediate Similarity | 0.7788 | NPC204466 |
Intermediate Similarity | 0.7788 | NPC109083 |
Intermediate Similarity | 0.7778 | NPC165646 |
Intermediate Similarity | 0.7748 | NPC86947 |
Intermediate Similarity | 0.7732 | NPC302546 |
Intermediate Similarity | 0.7727 | NPC100980 |
Intermediate Similarity | 0.7719 | NPC312675 |
Intermediate Similarity | 0.7719 | NPC54872 |
Intermediate Similarity | 0.7719 | NPC473853 |
Intermediate Similarity | 0.7719 | NPC184651 |
Intermediate Similarity | 0.7719 | NPC343720 |
Intermediate Similarity | 0.7719 | NPC38996 |
Intermediate Similarity | 0.7719 | NPC194416 |
Intermediate Similarity | 0.7719 | NPC177291 |
Intermediate Similarity | 0.7719 | NPC262156 |
Intermediate Similarity | 0.7719 | NPC201777 |
Intermediate Similarity | 0.7719 | NPC470804 |
Intermediate Similarity | 0.7719 | NPC70752 |
Intermediate Similarity | 0.7719 | NPC324571 |
Intermediate Similarity | 0.7719 | NPC113865 |
Intermediate Similarity | 0.7719 | NPC470212 |
Intermediate Similarity | 0.7719 | NPC476343 |
Intermediate Similarity | 0.7719 | NPC160380 |
Intermediate Similarity | 0.77 | NPC107522 |
Intermediate Similarity | 0.7692 | NPC12987 |
Intermediate Similarity | 0.7692 | NPC474603 |
Intermediate Similarity | 0.7653 | NPC288923 |
Intermediate Similarity | 0.7652 | NPC473411 |
Intermediate Similarity | 0.7652 | NPC286573 |
Intermediate Similarity | 0.7652 | NPC262253 |
Intermediate Similarity | 0.7652 | NPC41562 |
Intermediate Similarity | 0.7652 | NPC114298 |
Intermediate Similarity | 0.7652 | NPC85488 |
Intermediate Similarity | 0.7652 | NPC71579 |
Intermediate Similarity | 0.7652 | NPC209567 |
Intermediate Similarity | 0.7647 | NPC100870 |
Intermediate Similarity | 0.7642 | NPC194034 |
Intermediate Similarity | 0.7642 | NPC258171 |
Intermediate Similarity | 0.7642 | NPC251306 |
Intermediate Similarity | 0.7636 | NPC294941 |
Intermediate Similarity | 0.7632 | NPC170824 |
Intermediate Similarity | 0.7629 | NPC47422 |
Intermediate Similarity | 0.7619 | NPC17537 |
Intermediate Similarity | 0.7611 | NPC226629 |
Intermediate Similarity | 0.7611 | NPC135961 |
Intermediate Similarity | 0.7596 | NPC305205 |
Intermediate Similarity | 0.7593 | NPC46844 |
Intermediate Similarity | 0.7589 | NPC76915 |
Intermediate Similarity | 0.7589 | NPC151617 |
Intermediate Similarity | 0.7586 | NPC197757 |
Intermediate Similarity | 0.7586 | NPC163083 |
Intermediate Similarity | 0.7586 | NPC228922 |
Intermediate Similarity | 0.7586 | NPC471693 |
Intermediate Similarity | 0.7586 | NPC4181 |
Intermediate Similarity | 0.7586 | NPC229084 |
Intermediate Similarity | 0.7586 | NPC238810 |
Intermediate Similarity | 0.7586 | NPC13020 |
Intermediate Similarity | 0.7586 | NPC257976 |
Intermediate Similarity | 0.7586 | NPC18984 |
Intermediate Similarity | 0.7586 | NPC95168 |
Intermediate Similarity | 0.7586 | NPC106659 |
Intermediate Similarity | 0.7586 | NPC160900 |
Intermediate Similarity | 0.7586 | NPC164778 |
Intermediate Similarity | 0.7586 | NPC121115 |
Intermediate Similarity | 0.7586 | NPC280704 |
Intermediate Similarity | 0.7586 | NPC31344 |
Intermediate Similarity | 0.7586 | NPC317769 |
Intermediate Similarity | 0.7586 | NPC140359 |
Intermediate Similarity | 0.7586 | NPC242372 |
Intermediate Similarity | 0.7582 | NPC65517 |
Intermediate Similarity | 0.7579 | NPC125306 |
Intermediate Similarity | 0.7565 | NPC127389 |
Intermediate Similarity | 0.7565 | NPC290451 |
Intermediate Similarity | 0.7565 | NPC49341 |
Intermediate Similarity | 0.7551 | NPC259134 |
Intermediate Similarity | 0.7551 | NPC99886 |
Intermediate Similarity | 0.7551 | NPC8002 |
Intermediate Similarity | 0.7551 | NPC177844 |
Intermediate Similarity | 0.7547 | NPC473653 |
Intermediate Similarity | 0.7547 | NPC113457 |
Intermediate Similarity | 0.7544 | NPC474565 |
Intermediate Similarity | 0.7522 | NPC191194 |
Intermediate Similarity | 0.7521 | NPC5796 |
Intermediate Similarity | 0.7521 | NPC74478 |
Intermediate Similarity | 0.7521 | NPC273686 |
Intermediate Similarity | 0.7521 | NPC206487 |
Intermediate Similarity | 0.7521 | NPC221090 |
Intermediate Similarity | 0.7521 | NPC183446 |
Intermediate Similarity | 0.7521 | NPC246704 |
Intermediate Similarity | 0.7521 | NPC20443 |
Intermediate Similarity | 0.7521 | NPC60517 |
Intermediate Similarity | 0.7521 | NPC312404 |
Intermediate Similarity | 0.7521 | NPC146886 |
Intermediate Similarity | 0.75 | NPC51633 |
Intermediate Similarity | 0.75 | NPC127326 |
Intermediate Similarity | 0.75 | NPC135414 |
Intermediate Similarity | 0.75 | NPC246967 |
Intermediate Similarity | 0.7478 | NPC166759 |
Intermediate Similarity | 0.7477 | NPC233320 |
Intermediate Similarity | 0.7476 | NPC131587 |
Intermediate Similarity | 0.7475 | NPC71853 |
Intermediate Similarity | 0.7458 | NPC251855 |
Intermediate Similarity | 0.7458 | NPC298757 |
Intermediate Similarity | 0.7458 | NPC9067 |
Intermediate Similarity | 0.7458 | NPC271985 |
Intermediate Similarity | 0.7458 | NPC234400 |
Intermediate Similarity | 0.7458 | NPC57490 |
Intermediate Similarity | 0.7458 | NPC17943 |
Intermediate Similarity | 0.7458 | NPC299584 |
Intermediate Similarity | 0.7458 | NPC472093 |
Intermediate Similarity | 0.7458 | NPC117214 |
Intermediate Similarity | 0.7458 | NPC475169 |
Intermediate Similarity | 0.7458 | NPC289459 |
Intermediate Similarity | 0.7458 | NPC203133 |
Intermediate Similarity | 0.7458 | NPC221077 |
Intermediate Similarity | 0.7458 | NPC300326 |
Intermediate Similarity | 0.7458 | NPC194519 |
Intermediate Similarity | 0.7458 | NPC265483 |
Intermediate Similarity | 0.7458 | NPC29008 |
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 |