Drug ID:   | NPD2403 |
Drug Name:   | Griseofulvin |
Molecular Formula:   | C17H17ClO6 |
Canonical SMILES:   | COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C |
Standard InCHI:   | InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1 |
Standard InCHIKey:   | DDUHZTYCFQRHIY-RBHXEPJQSA-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 | NPC234053 |
High Similarity | 0.9625 | NPC107283 |
Intermediate Similarity | 0.8198 | NPC148480 |
Intermediate Similarity | 0.8072 | NPC288534 |
Intermediate Similarity | 0.8023 | NPC472606 |
Intermediate Similarity | 0.8023 | NPC68850 |
Intermediate Similarity | 0.8011 | NPC477568 |
Intermediate Similarity | 0.8 | NPC43490 |
Intermediate Similarity | 0.8 | NPC475107 |
Intermediate Similarity | 0.7977 | NPC62444 |
Intermediate Similarity | 0.7977 | NPC475109 |
Intermediate Similarity | 0.7966 | NPC108278 |
Intermediate Similarity | 0.7965 | NPC476931 |
Intermediate Similarity | 0.7931 | NPC472032 |
Intermediate Similarity | 0.7907 | NPC94796 |
Intermediate Similarity | 0.7882 | NPC476930 |
Intermediate Similarity | 0.788 | NPC221185 |
Intermediate Similarity | 0.7879 | NPC117463 |
Intermediate Similarity | 0.7874 | NPC476255 |
Intermediate Similarity | 0.7869 | NPC470100 |
Intermediate Similarity | 0.7853 | NPC200207 |
Intermediate Similarity | 0.7838 | NPC247104 |
Intermediate Similarity | 0.7836 | NPC125969 |
Intermediate Similarity | 0.7829 | NPC193222 |
Intermediate Similarity | 0.7803 | NPC474096 |
Intermediate Similarity | 0.7778 | NPC471801 |
Intermediate Similarity | 0.7772 | NPC470099 |
Intermediate Similarity | 0.7771 | NPC476056 |
Intermediate Similarity | 0.7766 | NPC154720 |
Intermediate Similarity | 0.7765 | NPC45072 |
Intermediate Similarity | 0.776 | NPC474499 |
Intermediate Similarity | 0.7759 | NPC470081 |
Intermediate Similarity | 0.7753 | NPC475080 |
Intermediate Similarity | 0.7746 | NPC476929 |
Intermediate Similarity | 0.7722 | NPC471802 |
Intermediate Similarity | 0.7719 | NPC313922 |
Intermediate Similarity | 0.7711 | NPC310259 |
Intermediate Similarity | 0.7702 | NPC61546 |
Intermediate Similarity | 0.7702 | NPC72452 |
Intermediate Similarity | 0.7701 | NPC48822 |
Intermediate Similarity | 0.7697 | NPC474857 |
Intermediate Similarity | 0.7697 | NPC118128 |
Intermediate Similarity | 0.7692 | NPC470380 |
Intermediate Similarity | 0.7692 | NPC471229 |
Intermediate Similarity | 0.7688 | NPC286422 |
Intermediate Similarity | 0.7679 | NPC181250 |
Intermediate Similarity | 0.7679 | NPC69752 |
Intermediate Similarity | 0.7679 | NPC277032 |
Intermediate Similarity | 0.7676 | NPC39409 |
Intermediate Similarity | 0.7665 | NPC299923 |
Intermediate Similarity | 0.7665 | NPC471285 |
Intermediate Similarity | 0.7654 | NPC470422 |
Intermediate Similarity | 0.7651 | NPC294365 |
Intermediate Similarity | 0.7651 | NPC212697 |
Intermediate Similarity | 0.765 | NPC99937 |
Intermediate Similarity | 0.7647 | NPC275878 |
Intermediate Similarity | 0.7647 | NPC210597 |
Intermediate Similarity | 0.7647 | NPC214901 |
Intermediate Similarity | 0.7644 | NPC472405 |
Intermediate Similarity | 0.7644 | NPC298401 |
Intermediate Similarity | 0.7643 | NPC473894 |
Intermediate Similarity | 0.764 | NPC470562 |
Intermediate Similarity | 0.764 | NPC277865 |
Intermediate Similarity | 0.764 | NPC470565 |
Intermediate Similarity | 0.7634 | NPC471806 |
Intermediate Similarity | 0.7634 | NPC471810 |
Intermediate Similarity | 0.7633 | NPC259058 |
Intermediate Similarity | 0.7633 | NPC267117 |
Intermediate Similarity | 0.7633 | NPC472406 |
Intermediate Similarity | 0.7633 | NPC201547 |
Intermediate Similarity | 0.7632 | NPC108744 |
Intermediate Similarity | 0.763 | NPC250076 |
Intermediate Similarity | 0.7622 | NPC471803 |
Intermediate Similarity | 0.7622 | NPC471804 |
Intermediate Similarity | 0.7622 | NPC471812 |
Intermediate Similarity | 0.7614 | NPC173352 |
Intermediate Similarity | 0.7614 | NPC58653 |
Intermediate Similarity | 0.7611 | NPC264922 |
Intermediate Similarity | 0.7602 | NPC473664 |
Intermediate Similarity | 0.7602 | NPC41719 |
Intermediate Similarity | 0.7602 | NPC209760 |
Intermediate Similarity | 0.7602 | NPC100134 |
Intermediate Similarity | 0.76 | NPC245122 |
Intermediate Similarity | 0.76 | NPC473696 |
Intermediate Similarity | 0.76 | NPC219861 |
Intermediate Similarity | 0.7598 | NPC188618 |
Intermediate Similarity | 0.7598 | NPC470560 |
Intermediate Similarity | 0.7594 | NPC220369 |
Intermediate Similarity | 0.7588 | NPC473732 |
Intermediate Similarity | 0.7581 | NPC121100 |
Intermediate Similarity | 0.7581 | NPC471813 |
Intermediate Similarity | 0.7581 | NPC471805 |
Intermediate Similarity | 0.758 | NPC473907 |
Intermediate Similarity | 0.7576 | NPC111201 |
Intermediate Similarity | 0.7576 | NPC29536 |
Intermediate Similarity | 0.7574 | NPC198927 |
Intermediate Similarity | 0.7574 | NPC238366 |
Intermediate Similarity | 0.7572 | NPC161650 |
Intermediate Similarity | 0.7572 | NPC472404 |
Intermediate Similarity | 0.7571 | NPC472895 |
Intermediate Similarity | 0.7571 | NPC28669 |
Intermediate Similarity | 0.7561 | NPC472515 |
Intermediate Similarity | 0.756 | NPC470511 |
Intermediate Similarity | 0.756 | NPC472918 |
Intermediate Similarity | 0.756 | NPC202494 |
Intermediate Similarity | 0.756 | NPC473133 |
Intermediate Similarity | 0.756 | NPC470670 |
Intermediate Similarity | 0.756 | NPC47388 |
Intermediate Similarity | 0.7558 | NPC471116 |
Intermediate Similarity | 0.7558 | NPC476169 |
Intermediate Similarity | 0.7558 | NPC284353 |
Intermediate Similarity | 0.7557 | NPC472581 |
Intermediate Similarity | 0.7557 | NPC131578 |
Intermediate Similarity | 0.7556 | NPC30550 |
Intermediate Similarity | 0.7545 | NPC165512 |
Intermediate Similarity | 0.7545 | NPC171656 |
Intermediate Similarity | 0.7545 | NPC136278 |
Intermediate Similarity | 0.7545 | NPC71210 |
Intermediate Similarity | 0.7545 | NPC311144 |
Intermediate Similarity | 0.7545 | NPC316535 |
Intermediate Similarity | 0.7544 | NPC475116 |
Intermediate Similarity | 0.7543 | NPC117985 |
Intermediate Similarity | 0.7543 | NPC264293 |
Intermediate Similarity | 0.754 | NPC471807 |
Intermediate Similarity | 0.7531 | NPC46869 |
Intermediate Similarity | 0.753 | NPC9966 |
Intermediate Similarity | 0.753 | NPC471639 |
Intermediate Similarity | 0.753 | NPC70853 |
Intermediate Similarity | 0.753 | NPC471643 |
Intermediate Similarity | 0.7529 | NPC475717 |
Intermediate Similarity | 0.7529 | NPC264932 |
Intermediate Similarity | 0.7529 | NPC257914 |
Intermediate Similarity | 0.7529 | NPC311574 |
Intermediate Similarity | 0.7529 | NPC116822 |
Intermediate Similarity | 0.7529 | NPC104459 |
Intermediate Similarity | 0.7529 | NPC472421 |
Intermediate Similarity | 0.7529 | NPC195832 |
Intermediate Similarity | 0.7529 | NPC238405 |
Intermediate Similarity | 0.7528 | NPC223413 |
Intermediate Similarity | 0.7527 | NPC28160 |
Intermediate Similarity | 0.7516 | NPC475496 |
Intermediate Similarity | 0.7516 | NPC49852 |
Intermediate Similarity | 0.7516 | NPC247743 |
Intermediate Similarity | 0.7515 | NPC63256 |
Intermediate Similarity | 0.7515 | NPC164697 |
Intermediate Similarity | 0.7515 | NPC261548 |
Intermediate Similarity | 0.7515 | NPC10304 |
Intermediate Similarity | 0.7515 | NPC470460 |
Intermediate Similarity | 0.7515 | NPC289660 |
Intermediate Similarity | 0.7515 | NPC477272 |
Intermediate Similarity | 0.7515 | NPC82920 |
Intermediate Similarity | 0.7514 | NPC470625 |
Intermediate Similarity | 0.7514 | NPC248299 |
Intermediate Similarity | 0.7514 | NPC289244 |
Intermediate Similarity | 0.7514 | NPC146636 |
Intermediate Similarity | 0.7514 | NPC164427 |
Intermediate Similarity | 0.7514 | NPC470103 |
Intermediate Similarity | 0.7514 | NPC189689 |
Intermediate Similarity | 0.7514 | NPC303255 |
Intermediate Similarity | 0.7514 | NPC45449 |
Intermediate Similarity | 0.75 | NPC476159 |
Intermediate Similarity | 0.75 | NPC110639 |
Intermediate Similarity | 0.75 | NPC190572 |
Intermediate Similarity | 0.75 | NPC106461 |
Intermediate Similarity | 0.75 | NPC302741 |
Intermediate Similarity | 0.75 | NPC203080 |
Intermediate Similarity | 0.75 | NPC474302 |
Intermediate Similarity | 0.75 | NPC470671 |
Intermediate Similarity | 0.75 | NPC169018 |
Intermediate Similarity | 0.75 | NPC272722 |
Intermediate Similarity | 0.75 | NPC178343 |
Intermediate Similarity | 0.75 | NPC475106 |
Intermediate Similarity | 0.75 | NPC14958 |
Intermediate Similarity | 0.75 | NPC5820 |
Intermediate Similarity | 0.75 | NPC124729 |
Intermediate Similarity | 0.75 | NPC283002 |
Intermediate Similarity | 0.75 | NPC299011 |
Intermediate Similarity | 0.75 | NPC279930 |
Intermediate Similarity | 0.75 | NPC131130 |
Intermediate Similarity | 0.75 | NPC474487 |
Intermediate Similarity | 0.75 | NPC470672 |
Intermediate Similarity | 0.75 | NPC306488 |
Intermediate Similarity | 0.75 | NPC215932 |
Intermediate Similarity | 0.75 | NPC276905 |
Intermediate Similarity | 0.75 | NPC236756 |
Intermediate Similarity | 0.75 | NPC329678 |
Intermediate Similarity | 0.75 | NPC302408 |
Intermediate Similarity | 0.75 | NPC40818 |
Intermediate Similarity | 0.75 | NPC474504 |
Intermediate Similarity | 0.75 | NPC311579 |
Intermediate Similarity | 0.7486 | NPC298093 |
Intermediate Similarity | 0.7486 | NPC313368 |
Intermediate Similarity | 0.7486 | NPC172687 |
Intermediate Similarity | 0.7485 | NPC187826 |
Intermediate Similarity | 0.7485 | NPC472423 |
Intermediate Similarity | 0.7485 | NPC474170 |
Intermediate Similarity | 0.7485 | NPC98028 |
Intermediate Similarity | 0.7485 | NPC113089 |
Intermediate Similarity | 0.7485 | NPC76376 |
Intermediate Similarity | 0.7485 | NPC161196 |
Molecular Weight   | 352.07 |
ALogP   | -0.2952 |
MLogP   | 2.56 |
XLogP   | 0.911 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 8 |
TPSA   | 71.06 |
RO5 Violation   | 0 |