Drug ID:   | NPD1104 |
Drug Name:   | Probenecid |
Molecular Formula:   | C13H19NO4S |
Canonical SMILES:   | CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC |
Standard InCHI:   | InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16) |
Standard InCHIKey:   | DBABZHXKTCFAPX-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; 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 |
---|---|---|
Intermediate Similarity | 0.7565 | NPC253423 |
Intermediate Similarity | 0.75 | NPC229242 |
Intermediate Similarity | 0.75 | NPC62765 |
Intermediate Similarity | 0.7478 | NPC61944 |
Intermediate Similarity | 0.7436 | NPC217621 |
Intermediate Similarity | 0.7311 | NPC304873 |
Intermediate Similarity | 0.7311 | NPC284477 |
Intermediate Similarity | 0.7311 | NPC25458 |
Intermediate Similarity | 0.7288 | NPC228435 |
Intermediate Similarity | 0.7227 | NPC282895 |
Intermediate Similarity | 0.7155 | NPC261181 |
Intermediate Similarity | 0.7154 | NPC249811 |
Intermediate Similarity | 0.7143 | NPC318107 |
Intermediate Similarity | 0.7131 | NPC105899 |
Intermediate Similarity | 0.7107 | NPC255676 |
Intermediate Similarity | 0.7097 | NPC85493 |
Intermediate Similarity | 0.7094 | NPC130398 |
Intermediate Similarity | 0.7063 | NPC321852 |
Intermediate Similarity | 0.7059 | NPC78701 |
Intermediate Similarity | 0.7059 | NPC35448 |
Intermediate Similarity | 0.7037 | NPC179468 |
Intermediate Similarity | 0.7015 | NPC285394 |
Intermediate Similarity | 0.7 | NPC203925 |
Intermediate Similarity | 0.7 | NPC325497 |
Intermediate Similarity | 0.7 | NPC146351 |
Remote Similarity | 0.6992 | NPC26285 |
Remote Similarity | 0.6984 | NPC260818 |
Remote Similarity | 0.6984 | NPC476003 |
Remote Similarity | 0.6975 | NPC92754 |
Remote Similarity | 0.6975 | NPC276775 |
Remote Similarity | 0.6975 | NPC249912 |
Remote Similarity | 0.6967 | NPC301943 |
Remote Similarity | 0.6967 | NPC474365 |
Remote Similarity | 0.6953 | NPC153053 |
Remote Similarity | 0.6929 | NPC66208 |
Remote Similarity | 0.6929 | NPC181390 |
Remote Similarity | 0.6917 | NPC225060 |
Remote Similarity | 0.6861 | NPC305717 |
Remote Similarity | 0.6838 | NPC110704 |
Remote Similarity | 0.6829 | NPC291426 |
Remote Similarity | 0.6825 | NPC318327 |
Remote Similarity | 0.6822 | NPC474363 |
Remote Similarity | 0.6803 | NPC70624 |
Remote Similarity | 0.6803 | NPC328793 |
Remote Similarity | 0.6774 | NPC31786 |
Remote Similarity | 0.6774 | NPC324786 |
Remote Similarity | 0.6769 | NPC186933 |
Remote Similarity | 0.675 | NPC3371 |
Remote Similarity | 0.6748 | NPC188895 |
Remote Similarity | 0.6746 | NPC56493 |
Remote Similarity | 0.6726 | NPC285773 |
Remote Similarity | 0.6721 | NPC118343 |
Remote Similarity | 0.672 | NPC269457 |
Remote Similarity | 0.6714 | NPC314098 |
Remote Similarity | 0.6693 | NPC17417 |
Remote Similarity | 0.6693 | NPC469636 |
Remote Similarity | 0.6693 | NPC10251 |
Remote Similarity | 0.6692 | NPC211421 |
Remote Similarity | 0.6667 | NPC187913 |
Remote Similarity | 0.6667 | NPC474314 |
Remote Similarity | 0.6667 | NPC42211 |
Remote Similarity | 0.6667 | NPC184658 |
Remote Similarity | 0.6667 | NPC119271 |
Remote Similarity | 0.6667 | NPC65310 |
Remote Similarity | 0.6667 | NPC158282 |
Remote Similarity | 0.6642 | NPC472708 |
Remote Similarity | 0.6641 | NPC93084 |
Remote Similarity | 0.6641 | NPC95172 |
Remote Similarity | 0.6641 | NPC251854 |
Remote Similarity | 0.6641 | NPC196246 |
Remote Similarity | 0.6641 | NPC174099 |
Remote Similarity | 0.6641 | NPC81808 |
Remote Similarity | 0.6641 | NPC214067 |
Remote Similarity | 0.664 | NPC249067 |
Remote Similarity | 0.6639 | NPC210529 |
Remote Similarity | 0.6639 | NPC160548 |
Remote Similarity | 0.6639 | NPC175852 |
Remote Similarity | 0.6638 | NPC322387 |
Remote Similarity | 0.6617 | NPC160199 |
Remote Similarity | 0.6615 | NPC272524 |
Remote Similarity | 0.6614 | NPC29883 |
Remote Similarity | 0.6614 | NPC34715 |
Remote Similarity | 0.6614 | NPC226699 |
Remote Similarity | 0.6613 | NPC318154 |
Remote Similarity | 0.661 | NPC70940 |
Remote Similarity | 0.661 | NPC274455 |
Remote Similarity | 0.661 | NPC86670 |
Remote Similarity | 0.6594 | NPC205946 |
Remote Similarity | 0.6589 | NPC1082 |
Remote Similarity | 0.6589 | NPC474057 |
Remote Similarity | 0.6589 | NPC305912 |
Remote Similarity | 0.6587 | NPC209632 |
Remote Similarity | 0.6581 | NPC329064 |
Remote Similarity | 0.6573 | NPC253476 |
Remote Similarity | 0.6567 | NPC273282 |
Remote Similarity | 0.6567 | NPC474890 |
Remote Similarity | 0.6567 | NPC161943 |
Remote Similarity | 0.6562 | NPC224584 |
Remote Similarity | 0.6562 | NPC100551 |
Remote Similarity | 0.6562 | NPC474364 |
Remote Similarity | 0.656 | NPC160382 |
Remote Similarity | 0.656 | NPC329556 |
Remote Similarity | 0.6544 | NPC165197 |
Remote Similarity | 0.6541 | NPC83718 |
Remote Similarity | 0.6541 | NPC131192 |
Remote Similarity | 0.6541 | NPC128825 |
Remote Similarity | 0.6541 | NPC158157 |
Remote Similarity | 0.6538 | NPC270699 |
Remote Similarity | 0.6538 | NPC82899 |
Remote Similarity | 0.6535 | NPC37622 |
Remote Similarity | 0.6535 | NPC30594 |
Remote Similarity | 0.6535 | NPC6984 |
Remote Similarity | 0.6532 | NPC52472 |
Remote Similarity | 0.6531 | NPC43477 |
Remote Similarity | 0.6522 | NPC44546 |
Remote Similarity | 0.6519 | NPC328459 |
Remote Similarity | 0.6519 | NPC319950 |
Remote Similarity | 0.6519 | NPC90522 |
Remote Similarity | 0.6515 | NPC306740 |
Remote Similarity | 0.6515 | NPC476357 |
Remote Similarity | 0.6512 | NPC216122 |
Remote Similarity | 0.6512 | NPC158854 |
Remote Similarity | 0.6508 | NPC114594 |
Remote Similarity | 0.6508 | NPC329282 |
Remote Similarity | 0.6507 | NPC238412 |
Remote Similarity | 0.6504 | NPC322598 |
Remote Similarity | 0.6503 | NPC313663 |
Remote Similarity | 0.6496 | NPC142577 |
Remote Similarity | 0.6496 | NPC167323 |
Remote Similarity | 0.6496 | NPC269923 |
Remote Similarity | 0.6496 | NPC25168 |
Remote Similarity | 0.6493 | NPC240664 |
Remote Similarity | 0.6489 | NPC17693 |
Remote Similarity | 0.6484 | NPC141523 |
Remote Similarity | 0.6484 | NPC211439 |
Remote Similarity | 0.648 | NPC45613 |
Remote Similarity | 0.6475 | NPC317400 |
Remote Similarity | 0.6471 | NPC72977 |
Remote Similarity | 0.6462 | NPC474157 |
Remote Similarity | 0.646 | NPC127343 |
Remote Similarity | 0.6457 | NPC476198 |
Remote Similarity | 0.6457 | NPC13495 |
Remote Similarity | 0.6457 | NPC67043 |
Remote Similarity | 0.6452 | NPC245561 |
Remote Similarity | 0.6452 | NPC12730 |
Remote Similarity | 0.6449 | NPC297193 |
Remote Similarity | 0.6444 | NPC94637 |
Remote Similarity | 0.6444 | NPC229353 |
Remote Similarity | 0.6444 | NPC94298 |
Remote Similarity | 0.6444 | NPC27633 |
Remote Similarity | 0.6439 | NPC237366 |
Remote Similarity | 0.6439 | NPC307651 |
Remote Similarity | 0.6439 | NPC242136 |
Remote Similarity | 0.6438 | NPC281104 |
Remote Similarity | 0.6435 | NPC44830 |
Remote Similarity | 0.6435 | NPC288903 |
Remote Similarity | 0.6434 | NPC265407 |
Remote Similarity | 0.6434 | NPC269023 |
Remote Similarity | 0.6434 | NPC83628 |
Remote Similarity | 0.6434 | NPC99846 |
Remote Similarity | 0.6429 | NPC60679 |
Remote Similarity | 0.6429 | NPC13426 |
Remote Similarity | 0.6429 | NPC89886 |
Remote Similarity | 0.6423 | NPC56634 |
Remote Similarity | 0.6423 | NPC289201 |
Remote Similarity | 0.6412 | NPC228609 |
Remote Similarity | 0.6403 | NPC85511 |
Remote Similarity | 0.6403 | NPC477153 |
Remote Similarity | 0.6397 | NPC61779 |
Remote Similarity | 0.6391 | NPC210092 |
Remote Similarity | 0.6391 | NPC474685 |
Remote Similarity | 0.6387 | NPC173443 |
Remote Similarity | 0.6371 | NPC179411 |
Remote Similarity | 0.6371 | NPC140619 |
Remote Similarity | 0.637 | NPC125252 |
Remote Similarity | 0.6364 | NPC161611 |
Remote Similarity | 0.6364 | NPC128368 |
Remote Similarity | 0.6357 | NPC117794 |
Remote Similarity | 0.6357 | NPC4974 |
Remote Similarity | 0.6357 | NPC156648 |
Remote Similarity | 0.6356 | NPC198747 |
Remote Similarity | 0.6356 | NPC194326 |
Remote Similarity | 0.635 | NPC130931 |
Remote Similarity | 0.635 | NPC150323 |
Remote Similarity | 0.6341 | NPC246679 |
Remote Similarity | 0.6336 | NPC210089 |
Remote Similarity | 0.6336 | NPC116842 |
Remote Similarity | 0.6333 | NPC258627 |
Remote Similarity | 0.6331 | NPC67300 |
Remote Similarity | 0.6331 | NPC472703 |
Remote Similarity | 0.6331 | NPC311219 |
Remote Similarity | 0.6331 | NPC223351 |
Remote Similarity | 0.6331 | NPC475192 |
Remote Similarity | 0.6328 | NPC472919 |
Remote Similarity | 0.6325 | NPC294134 |
Remote Similarity | 0.6325 | NPC95965 |
Remote Similarity | 0.632 | NPC280869 |
Remote Similarity | 0.6316 | NPC11824 |
Remote Similarity | 0.6316 | NPC223004 |
Remote Similarity | 0.6316 | NPC309808 |
Molecular Weight   | 285.10 |
ALogP   | -1.6265 |
MLogP   | 2.23 |
XLogP   | 2.308 |
HDA   | 5 |
HBD   | 1 |
Rotatable Bonds   | 10 |
TPSA   | 83.06 |
RO5 Violation   | 0 |