Drug ID:   | NPD9714 |
Drug Name:   | |
Molecular Formula:   | C9H8N2O2 |
Canonical SMILES:   | Cc1nc(O)c2c(n1)c(O)ccc2 |
Standard InCHI:   | InChI=1S/C9H8N2O2/c1-5-10-8-6(9(13)11-5)3-2-4-7(8)12/h2-4,12H,1H3,(H,10,11,13) |
Standard InCHIKey:   | YJDAOHJWLUNFLX-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 |
---|---|---|
High Similarity | 1.0 | NPC230805 |
High Similarity | 0.8876 | NPC278874 |
High Similarity | 0.8772 | NPC476686 |
High Similarity | 0.8772 | NPC105758 |
High Similarity | 0.8772 | NPC476688 |
High Similarity | 0.8743 | NPC144114 |
High Similarity | 0.8639 | NPC224632 |
High Similarity | 0.8613 | NPC208060 |
High Similarity | 0.8531 | NPC477891 |
Intermediate Similarity | 0.8286 | NPC164664 |
Intermediate Similarity | 0.7807 | NPC254762 |
Intermediate Similarity | 0.7796 | NPC42591 |
Intermediate Similarity | 0.7735 | NPC252590 |
Intermediate Similarity | 0.768 | NPC314940 |
Intermediate Similarity | 0.768 | NPC473764 |
Intermediate Similarity | 0.7676 | NPC478032 |
Intermediate Similarity | 0.7527 | NPC44161 |
Intermediate Similarity | 0.7487 | NPC472289 |
Intermediate Similarity | 0.7466 | NPC472031 |
Intermediate Similarity | 0.7466 | NPC472066 |
Intermediate Similarity | 0.7466 | NPC472067 |
Intermediate Similarity | 0.7459 | NPC118511 |
Intermediate Similarity | 0.7448 | NPC144381 |
Intermediate Similarity | 0.7393 | NPC103687 |
Intermediate Similarity | 0.7393 | NPC132631 |
Intermediate Similarity | 0.7341 | NPC60553 |
Intermediate Similarity | 0.7299 | NPC130570 |
Intermediate Similarity | 0.7297 | NPC472068 |
Intermediate Similarity | 0.7292 | NPC314573 |
Intermediate Similarity | 0.7245 | NPC230403 |
Intermediate Similarity | 0.7206 | NPC477111 |
Intermediate Similarity | 0.7165 | NPC66083 |
Intermediate Similarity | 0.7129 | NPC66815 |
Intermediate Similarity | 0.7111 | NPC153769 |
Intermediate Similarity | 0.7108 | NPC477113 |
Intermediate Similarity | 0.7065 | NPC476167 |
Intermediate Similarity | 0.7048 | NPC477110 |
Intermediate Similarity | 0.7044 | NPC470678 |
Intermediate Similarity | 0.7039 | NPC18348 |
Intermediate Similarity | 0.7028 | NPC48317 |
Intermediate Similarity | 0.7027 | NPC79911 |
Intermediate Similarity | 0.7015 | NPC192315 |
Intermediate Similarity | 0.7006 | NPC470404 |
Intermediate Similarity | 0.7006 | NPC470394 |
Intermediate Similarity | 0.7006 | NPC470403 |
Remote Similarity | 0.6982 | NPC30540 |
Remote Similarity | 0.6978 | NPC26872 |
Remote Similarity | 0.6973 | NPC120798 |
Remote Similarity | 0.6963 | NPC288943 |
Remote Similarity | 0.6932 | NPC280853 |
Remote Similarity | 0.6927 | NPC470395 |
Remote Similarity | 0.6927 | NPC283152 |
Remote Similarity | 0.6902 | NPC477889 |
Remote Similarity | 0.6893 | NPC245657 |
Remote Similarity | 0.6893 | NPC285016 |
Remote Similarity | 0.6889 | NPC161292 |
Remote Similarity | 0.6887 | NPC470799 |
Remote Similarity | 0.6887 | NPC8022 |
Remote Similarity | 0.6875 | NPC471596 |
Remote Similarity | 0.6869 | NPC250178 |
Remote Similarity | 0.6865 | NPC26850 |
Remote Similarity | 0.686 | NPC304183 |
Remote Similarity | 0.6851 | NPC257142 |
Remote Similarity | 0.6845 | NPC177404 |
Remote Similarity | 0.6837 | NPC62069 |
Remote Similarity | 0.6822 | NPC173080 |
Remote Similarity | 0.6814 | NPC128823 |
Remote Similarity | 0.6808 | NPC62995 |
Remote Similarity | 0.6804 | NPC88363 |
Remote Similarity | 0.6804 | NPC72980 |
Remote Similarity | 0.6778 | NPC471598 |
Remote Similarity | 0.6771 | NPC474409 |
Remote Similarity | 0.6757 | NPC63562 |
Remote Similarity | 0.6755 | NPC315214 |
Remote Similarity | 0.6755 | NPC47298 |
Remote Similarity | 0.6751 | NPC320394 |
Remote Similarity | 0.6745 | NPC471603 |
Remote Similarity | 0.6739 | NPC284348 |
Remote Similarity | 0.6736 | NPC303225 |
Remote Similarity | 0.6736 | NPC95898 |
Remote Similarity | 0.6735 | NPC474798 |
Remote Similarity | 0.672 | NPC159319 |
Remote Similarity | 0.672 | NPC32028 |
Remote Similarity | 0.6717 | NPC314002 |
Remote Similarity | 0.6713 | NPC148409 |
Remote Similarity | 0.6702 | NPC324203 |
Remote Similarity | 0.6702 | NPC322976 |
Remote Similarity | 0.6702 | NPC63338 |
Remote Similarity | 0.6684 | NPC269919 |
Remote Similarity | 0.6684 | NPC132680 |
Remote Similarity | 0.6682 | NPC209769 |
Remote Similarity | 0.6667 | NPC126481 |
Remote Similarity | 0.6667 | NPC204717 |
Remote Similarity | 0.6667 | NPC472193 |
Remote Similarity | 0.6667 | NPC295452 |
Remote Similarity | 0.6667 | NPC171393 |
Remote Similarity | 0.6667 | NPC203168 |
Remote Similarity | 0.6651 | NPC219664 |
Remote Similarity | 0.665 | NPC280714 |
Remote Similarity | 0.665 | NPC329541 |
Remote Similarity | 0.6649 | NPC312872 |
Remote Similarity | 0.6636 | NPC250448 |
Remote Similarity | 0.6634 | NPC474188 |
Remote Similarity | 0.6632 | NPC97367 |
Remote Similarity | 0.663 | NPC288445 |
Remote Similarity | 0.6618 | NPC276517 |
Remote Similarity | 0.6618 | NPC249040 |
Remote Similarity | 0.6617 | NPC242928 |
Remote Similarity | 0.6617 | NPC110741 |
Remote Similarity | 0.6616 | NPC212535 |
Remote Similarity | 0.6616 | NPC220765 |
Remote Similarity | 0.6614 | NPC25899 |
Remote Similarity | 0.6606 | NPC2497 |
Remote Similarity | 0.6604 | NPC185782 |
Remote Similarity | 0.6603 | NPC475774 |
Remote Similarity | 0.6603 | NPC476098 |
Remote Similarity | 0.66 | NPC194040 |
Remote Similarity | 0.66 | NPC171171 |
Remote Similarity | 0.6596 | NPC116573 |
Remote Similarity | 0.6592 | NPC471594 |
Remote Similarity | 0.6591 | NPC205372 |
Remote Similarity | 0.659 | NPC174576 |
Remote Similarity | 0.6588 | NPC283117 |
Remote Similarity | 0.6585 | NPC242209 |
Remote Similarity | 0.6582 | NPC184964 |
Remote Similarity | 0.6573 | NPC309845 |
Remote Similarity | 0.6567 | NPC46580 |
Remote Similarity | 0.6562 | NPC160666 |
Remote Similarity | 0.6553 | NPC267928 |
Remote Similarity | 0.6553 | NPC153042 |
Remote Similarity | 0.6553 | NPC208751 |
Remote Similarity | 0.6553 | NPC90229 |
Remote Similarity | 0.6552 | NPC92803 |
Remote Similarity | 0.655 | NPC94943 |
Remote Similarity | 0.6548 | NPC42979 |
Remote Similarity | 0.6545 | NPC263439 |
Remote Similarity | 0.6545 | NPC211187 |
Remote Similarity | 0.6544 | NPC314552 |
Remote Similarity | 0.6542 | NPC294375 |
Remote Similarity | 0.6535 | NPC128751 |
Remote Similarity | 0.6535 | NPC246700 |
Remote Similarity | 0.6535 | NPC18890 |
Remote Similarity | 0.6532 | NPC200888 |
Remote Similarity | 0.6531 | NPC224764 |
Remote Similarity | 0.6528 | NPC118228 |
Remote Similarity | 0.6526 | NPC322644 |
Remote Similarity | 0.6524 | NPC9729 |
Remote Similarity | 0.6524 | NPC36168 |
Remote Similarity | 0.6522 | NPC39092 |
Remote Similarity | 0.652 | NPC99666 |
Remote Similarity | 0.6517 | NPC204385 |
Remote Similarity | 0.6515 | NPC249662 |
Remote Similarity | 0.6513 | NPC259545 |
Remote Similarity | 0.6513 | NPC471294 |
Remote Similarity | 0.6512 | NPC26679 |
Remote Similarity | 0.651 | NPC471178 |
Remote Similarity | 0.6502 | NPC106833 |
Remote Similarity | 0.6502 | NPC3715 |
Remote Similarity | 0.6502 | NPC469497 |
Remote Similarity | 0.65 | NPC190007 |
Remote Similarity | 0.6496 | NPC51854 |
Remote Similarity | 0.6495 | NPC5145 |
Remote Similarity | 0.6495 | NPC256828 |
Remote Similarity | 0.6495 | NPC477888 |
Remote Similarity | 0.6493 | NPC264166 |
Remote Similarity | 0.6493 | NPC274291 |
Remote Similarity | 0.6493 | NPC118832 |
Remote Similarity | 0.6493 | NPC329708 |
Remote Similarity | 0.6493 | NPC165349 |
Remote Similarity | 0.6493 | NPC47059 |
Remote Similarity | 0.6492 | NPC124542 |
Remote Similarity | 0.6492 | NPC48192 |
Remote Similarity | 0.6492 | NPC59779 |
Remote Similarity | 0.6492 | NPC471177 |
Remote Similarity | 0.6489 | NPC477112 |
Remote Similarity | 0.6488 | NPC279401 |
Remote Similarity | 0.6488 | NPC475190 |
Remote Similarity | 0.6488 | NPC79293 |
Remote Similarity | 0.6484 | NPC473179 |
Remote Similarity | 0.6482 | NPC314394 |
Remote Similarity | 0.6481 | NPC162530 |
Remote Similarity | 0.6474 | NPC84508 |
Remote Similarity | 0.6473 | NPC77555 |
Remote Similarity | 0.6468 | NPC56271 |
Remote Similarity | 0.6465 | NPC472168 |
Remote Similarity | 0.6462 | NPC158129 |
Remote Similarity | 0.6458 | NPC473057 |
Remote Similarity | 0.6455 | NPC141353 |
Remote Similarity | 0.6447 | NPC194724 |
Remote Similarity | 0.6445 | NPC245816 |
Remote Similarity | 0.6445 | NPC223427 |
Remote Similarity | 0.6445 | NPC476138 |
Remote Similarity | 0.6442 | NPC306376 |
Remote Similarity | 0.6436 | NPC61350 |
Remote Similarity | 0.6432 | NPC222592 |
Remote Similarity | 0.6432 | NPC220523 |
Remote Similarity | 0.6432 | NPC168486 |
Remote Similarity | 0.6422 | NPC142901 |
Remote Similarity | 0.6415 | NPC470500 |
Remote Similarity | 0.6415 | NPC475070 |
Molecular Weight   | 176.06 |
ALogP   | -0.8693 |
MLogP   | 2.01 |
XLogP   | 0.992 |
HDA   | 2 |
HBD   | 2 |
Rotatable Bonds   | 3 |
TPSA   | 66.24 |
RO5 Violation   | 0 |