Drug ID:   | NPD1671 |
Drug Name:   | |
Molecular Formula:   | C15H17NOS |
Canonical SMILES:   | CN(Cc1ccccc1Sc1ccc(cc1)O)C |
Standard InCHI:   | InChI=1S/C15H17NOS/c1-16(2)11-12-5-3-4-6-15(12)18-14-9-7-13(17)8-10-14/h3-10,17H,11H2,1-2H3 |
Standard InCHIKey:   | BJOPZPFZQQKACQ-UHFFFAOYSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
Max Developmental Stage Source:   | TTD |
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 | 0.7759 | NPC155847 |
Intermediate Similarity | 0.7759 | NPC289381 |
Intermediate Similarity | 0.7373 | NPC275104 |
Intermediate Similarity | 0.7317 | NPC24101 |
Intermediate Similarity | 0.7317 | NPC96224 |
Intermediate Similarity | 0.7311 | NPC29601 |
Intermediate Similarity | 0.719 | NPC178902 |
Intermediate Similarity | 0.7177 | NPC153690 |
Intermediate Similarity | 0.7154 | NPC231705 |
Intermediate Similarity | 0.7111 | NPC318965 |
Intermediate Similarity | 0.7097 | NPC142297 |
Intermediate Similarity | 0.7083 | NPC125732 |
Remote Similarity | 0.6984 | NPC258056 |
Remote Similarity | 0.6963 | NPC307020 |
Remote Similarity | 0.6934 | NPC218323 |
Remote Similarity | 0.6929 | NPC474149 |
Remote Similarity | 0.6911 | NPC68055 |
Remote Similarity | 0.687 | NPC82963 |
Remote Similarity | 0.6859 | NPC94292 |
Remote Similarity | 0.685 | NPC172046 |
Remote Similarity | 0.6846 | NPC118202 |
Remote Similarity | 0.6833 | NPC26244 |
Remote Similarity | 0.6818 | NPC311737 |
Remote Similarity | 0.6818 | NPC38458 |
Remote Similarity | 0.6818 | NPC283468 |
Remote Similarity | 0.681 | NPC184169 |
Remote Similarity | 0.6794 | NPC10286 |
Remote Similarity | 0.6794 | NPC213 |
Remote Similarity | 0.6791 | NPC321133 |
Remote Similarity | 0.6783 | NPC248817 |
Remote Similarity | 0.6777 | NPC473388 |
Remote Similarity | 0.6767 | NPC122009 |
Remote Similarity | 0.6765 | NPC471314 |
Remote Similarity | 0.6765 | NPC471315 |
Remote Similarity | 0.6763 | NPC268763 |
Remote Similarity | 0.6763 | NPC66177 |
Remote Similarity | 0.6763 | NPC8305 |
Remote Similarity | 0.6752 | NPC25493 |
Remote Similarity | 0.6752 | NPC113460 |
Remote Similarity | 0.675 | NPC76938 |
Remote Similarity | 0.675 | NPC151715 |
Remote Similarity | 0.6748 | NPC214200 |
Remote Similarity | 0.6748 | NPC228400 |
Remote Similarity | 0.6741 | NPC86966 |
Remote Similarity | 0.6724 | NPC197783 |
Remote Similarity | 0.6723 | NPC45040 |
Remote Similarity | 0.6721 | NPC225464 |
Remote Similarity | 0.6716 | NPC268572 |
Remote Similarity | 0.6716 | NPC43275 |
Remote Similarity | 0.6696 | NPC124436 |
Remote Similarity | 0.6696 | NPC265146 |
Remote Similarity | 0.6695 | NPC177420 |
Remote Similarity | 0.6695 | NPC242240 |
Remote Similarity | 0.6695 | NPC98772 |
Remote Similarity | 0.6695 | NPC280347 |
Remote Similarity | 0.6695 | NPC318325 |
Remote Similarity | 0.6695 | NPC123273 |
Remote Similarity | 0.6694 | NPC32714 |
Remote Similarity | 0.6692 | NPC137096 |
Remote Similarity | 0.6667 | NPC37302 |
Remote Similarity | 0.6667 | NPC317254 |
Remote Similarity | 0.6667 | NPC307235 |
Remote Similarity | 0.6667 | NPC112823 |
Remote Similarity | 0.6667 | NPC89769 |
Remote Similarity | 0.6667 | NPC120251 |
Remote Similarity | 0.6667 | NPC271440 |
Remote Similarity | 0.6667 | NPC407 |
Remote Similarity | 0.6667 | NPC126859 |
Remote Similarity | 0.6667 | NPC23167 |
Remote Similarity | 0.6667 | NPC259665 |
Remote Similarity | 0.6667 | NPC92730 |
Remote Similarity | 0.6646 | NPC130921 |
Remote Similarity | 0.6643 | NPC172403 |
Remote Similarity | 0.6642 | NPC85276 |
Remote Similarity | 0.6639 | NPC132271 |
Remote Similarity | 0.6639 | NPC82664 |
Remote Similarity | 0.6639 | NPC216520 |
Remote Similarity | 0.6639 | NPC292730 |
Remote Similarity | 0.6639 | NPC55561 |
Remote Similarity | 0.6638 | NPC286904 |
Remote Similarity | 0.6638 | NPC175313 |
Remote Similarity | 0.6638 | NPC150837 |
Remote Similarity | 0.662 | NPC257390 |
Remote Similarity | 0.6618 | NPC324702 |
Remote Similarity | 0.6612 | NPC128062 |
Remote Similarity | 0.661 | NPC27974 |
Remote Similarity | 0.6596 | NPC124802 |
Remote Similarity | 0.6591 | NPC142599 |
Remote Similarity | 0.6589 | NPC290566 |
Remote Similarity | 0.6589 | NPC65855 |
Remote Similarity | 0.6589 | NPC292758 |
Remote Similarity | 0.6589 | NPC145638 |
Remote Similarity | 0.6585 | NPC201967 |
Remote Similarity | 0.6583 | NPC270547 |
Remote Similarity | 0.6581 | NPC155393 |
Remote Similarity | 0.6564 | NPC177023 |
Remote Similarity | 0.6557 | NPC274678 |
Remote Similarity | 0.6555 | NPC258219 |
Remote Similarity | 0.6544 | NPC53596 |
Remote Similarity | 0.6544 | NPC17388 |
Remote Similarity | 0.6544 | NPC471308 |
Remote Similarity | 0.6544 | NPC289330 |
Remote Similarity | 0.6544 | NPC263835 |
Remote Similarity | 0.6544 | NPC160120 |
Remote Similarity | 0.6532 | NPC132078 |
Remote Similarity | 0.6532 | NPC216468 |
Remote Similarity | 0.6532 | NPC51333 |
Remote Similarity | 0.6532 | NPC130193 |
Remote Similarity | 0.6532 | NPC78119 |
Remote Similarity | 0.6531 | NPC211468 |
Remote Similarity | 0.6531 | NPC170170 |
Remote Similarity | 0.6531 | NPC219233 |
Remote Similarity | 0.6529 | NPC94139 |
Remote Similarity | 0.6529 | NPC210497 |
Remote Similarity | 0.6529 | NPC3358 |
Remote Similarity | 0.6529 | NPC306884 |
Remote Similarity | 0.6529 | NPC162314 |
Remote Similarity | 0.6529 | NPC147284 |
Remote Similarity | 0.65 | NPC192 |
Remote Similarity | 0.65 | NPC151764 |
Remote Similarity | 0.6497 | NPC131440 |
Remote Similarity | 0.6496 | NPC284078 |
Remote Similarity | 0.649 | NPC185838 |
Remote Similarity | 0.6486 | NPC323123 |
Remote Similarity | 0.6483 | NPC473360 |
Remote Similarity | 0.648 | NPC294741 |
Remote Similarity | 0.648 | NPC213730 |
Remote Similarity | 0.6475 | NPC152415 |
Remote Similarity | 0.6475 | NPC316301 |
Remote Similarity | 0.6475 | NPC27323 |
Remote Similarity | 0.6471 | NPC104216 |
Remote Similarity | 0.6471 | NPC283760 |
Remote Similarity | 0.6471 | NPC19680 |
Remote Similarity | 0.6463 | NPC193528 |
Remote Similarity | 0.6458 | NPC300020 |
Remote Similarity | 0.6458 | NPC33338 |
Remote Similarity | 0.6458 | NPC302171 |
Remote Similarity | 0.6454 | NPC305717 |
Remote Similarity | 0.6452 | NPC291789 |
Remote Similarity | 0.6452 | NPC32674 |
Remote Similarity | 0.6452 | NPC107619 |
Remote Similarity | 0.6452 | NPC156313 |
Remote Similarity | 0.6446 | NPC306074 |
Remote Similarity | 0.6446 | NPC231150 |
Remote Similarity | 0.6446 | NPC304541 |
Remote Similarity | 0.6446 | NPC204210 |
Remote Similarity | 0.6446 | NPC155908 |
Remote Similarity | 0.6439 | NPC146422 |
Remote Similarity | 0.6429 | NPC95733 |
Remote Similarity | 0.6429 | NPC327226 |
Remote Similarity | 0.6429 | NPC171372 |
Remote Similarity | 0.6429 | NPC7686 |
Remote Similarity | 0.6429 | NPC51015 |
Remote Similarity | 0.6429 | NPC91461 |
Remote Similarity | 0.6429 | NPC62101 |
Remote Similarity | 0.6429 | NPC40258 |
Remote Similarity | 0.6423 | NPC41801 |
Remote Similarity | 0.6418 | NPC303370 |
Remote Similarity | 0.6418 | NPC222982 |
Remote Similarity | 0.6414 | NPC266425 |
Remote Similarity | 0.6408 | NPC251571 |
Remote Similarity | 0.6408 | NPC17374 |
Remote Similarity | 0.6406 | NPC138942 |
Remote Similarity | 0.6406 | NPC233396 |
Remote Similarity | 0.6406 | NPC154899 |
Remote Similarity | 0.6405 | NPC179825 |
Remote Similarity | 0.6405 | NPC191376 |
Remote Similarity | 0.6405 | NPC321505 |
Remote Similarity | 0.6405 | NPC476151 |
Remote Similarity | 0.6395 | NPC131204 |
Remote Similarity | 0.6395 | NPC301050 |
Remote Similarity | 0.6393 | NPC325292 |
Remote Similarity | 0.6393 | NPC138117 |
Remote Similarity | 0.6393 | NPC55903 |
Remote Similarity | 0.6393 | NPC181709 |
Remote Similarity | 0.6391 | NPC59387 |
Remote Similarity | 0.6386 | NPC20395 |
Remote Similarity | 0.6383 | NPC29477 |
Remote Similarity | 0.6378 | NPC68269 |
Remote Similarity | 0.6378 | NPC168829 |
Remote Similarity | 0.6377 | NPC56634 |
Remote Similarity | 0.6377 | NPC83279 |
Remote Similarity | 0.6377 | NPC318357 |
Remote Similarity | 0.6371 | NPC33168 |
Remote Similarity | 0.6364 | NPC476571 |
Remote Similarity | 0.6364 | NPC296858 |
Remote Similarity | 0.6364 | NPC135538 |
Remote Similarity | 0.6364 | NPC155838 |
Remote Similarity | 0.6364 | NPC24233 |
Remote Similarity | 0.6364 | NPC147390 |
Remote Similarity | 0.6364 | NPC471321 |
Remote Similarity | 0.6364 | NPC428 |
Remote Similarity | 0.6364 | NPC471306 |
Remote Similarity | 0.6364 | NPC300017 |
Remote Similarity | 0.6364 | NPC246587 |
Remote Similarity | 0.6357 | NPC113457 |
Remote Similarity | 0.6357 | NPC135464 |
Remote Similarity | 0.6357 | NPC211218 |
Remote Similarity | 0.6357 | NPC217277 |
Remote Similarity | 0.6357 | NPC92623 |
Molecular Weight   | 259.10 |
ALogP   | 0.3597 |
MLogP   | 2.78 |
XLogP   | 3.805 |
HDA   | 1 |
HBD   | 1 |
Rotatable Bonds   | 7 |
TPSA   | 48.77 |
RO5 Violation   | 0 |