Drug ID:   | NPD9695 |
Drug Name:   | Nitroxoline |
Molecular Formula:   | C9H6N2O3 |
Canonical SMILES:   | O=N(=O)c1ccc(c2c1cccn2)O |
Standard InCHI:   | InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H |
Standard InCHIKey:   | RJIWZDNTCBHXAL-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 | 0.8947 | NPC473764 |
High Similarity | 0.8947 | NPC314940 |
High Similarity | 0.8786 | NPC252590 |
Intermediate Similarity | 0.849 | NPC477111 |
Intermediate Similarity | 0.8482 | NPC477113 |
Intermediate Similarity | 0.8191 | NPC477110 |
Intermediate Similarity | 0.8135 | NPC470678 |
Intermediate Similarity | 0.8045 | NPC44161 |
Intermediate Similarity | 0.8021 | NPC192315 |
Intermediate Similarity | 0.7979 | NPC476167 |
Intermediate Similarity | 0.788 | NPC184964 |
Intermediate Similarity | 0.7839 | NPC18348 |
Intermediate Similarity | 0.7837 | NPC103687 |
Intermediate Similarity | 0.7837 | NPC132631 |
Intermediate Similarity | 0.7819 | NPC314002 |
Intermediate Similarity | 0.7807 | NPC220765 |
Intermediate Similarity | 0.7766 | NPC204717 |
Intermediate Similarity | 0.7701 | NPC478032 |
Intermediate Similarity | 0.7696 | NPC32771 |
Intermediate Similarity | 0.7689 | NPC477112 |
Intermediate Similarity | 0.7684 | NPC171171 |
Intermediate Similarity | 0.7668 | NPC99666 |
Intermediate Similarity | 0.7662 | NPC476157 |
Intermediate Similarity | 0.7629 | NPC329541 |
Intermediate Similarity | 0.7602 | NPC90229 |
Intermediate Similarity | 0.7602 | NPC77555 |
Intermediate Similarity | 0.7527 | NPC48192 |
Intermediate Similarity | 0.7513 | NPC230805 |
Intermediate Similarity | 0.7513 | NPC267928 |
Intermediate Similarity | 0.7512 | NPC165349 |
Intermediate Similarity | 0.7512 | NPC329708 |
Intermediate Similarity | 0.7512 | NPC47059 |
Intermediate Similarity | 0.7512 | NPC118832 |
Intermediate Similarity | 0.7512 | NPC264166 |
Intermediate Similarity | 0.7512 | NPC274291 |
Intermediate Similarity | 0.75 | NPC173080 |
Intermediate Similarity | 0.75 | NPC211813 |
Intermediate Similarity | 0.75 | NPC5145 |
Intermediate Similarity | 0.75 | NPC220523 |
Intermediate Similarity | 0.75 | NPC309845 |
Intermediate Similarity | 0.7488 | NPC476161 |
Intermediate Similarity | 0.7486 | NPC118511 |
Intermediate Similarity | 0.7471 | NPC60553 |
Intermediate Similarity | 0.7463 | NPC475774 |
Intermediate Similarity | 0.746 | NPC42979 |
Intermediate Similarity | 0.7448 | NPC42591 |
Intermediate Similarity | 0.7447 | NPC224764 |
Intermediate Similarity | 0.7446 | NPC471178 |
Intermediate Similarity | 0.7432 | NPC124542 |
Intermediate Similarity | 0.7432 | NPC471177 |
Intermediate Similarity | 0.7432 | NPC59779 |
Intermediate Similarity | 0.7431 | NPC184225 |
Intermediate Similarity | 0.7426 | NPC475070 |
Intermediate Similarity | 0.7424 | NPC156704 |
Intermediate Similarity | 0.7411 | NPC326634 |
Intermediate Similarity | 0.7404 | NPC470799 |
Intermediate Similarity | 0.7404 | NPC8022 |
Intermediate Similarity | 0.74 | NPC315491 |
Intermediate Similarity | 0.74 | NPC45459 |
Intermediate Similarity | 0.7391 | NPC97367 |
Intermediate Similarity | 0.7385 | NPC144381 |
Intermediate Similarity | 0.7377 | NPC25899 |
Intermediate Similarity | 0.7371 | NPC46580 |
Intermediate Similarity | 0.7354 | NPC203754 |
Intermediate Similarity | 0.7354 | NPC150048 |
Intermediate Similarity | 0.7304 | NPC470164 |
Intermediate Similarity | 0.7304 | NPC323345 |
Intermediate Similarity | 0.7291 | NPC476138 |
Intermediate Similarity | 0.7291 | NPC245816 |
Intermediate Similarity | 0.7286 | NPC469727 |
Intermediate Similarity | 0.7286 | NPC222018 |
Intermediate Similarity | 0.7273 | NPC230403 |
Intermediate Similarity | 0.7273 | NPC307963 |
Intermediate Similarity | 0.7255 | NPC470500 |
Intermediate Similarity | 0.7253 | NPC63562 |
Intermediate Similarity | 0.7251 | NPC174421 |
Intermediate Similarity | 0.7246 | NPC85273 |
Intermediate Similarity | 0.7243 | NPC177404 |
Intermediate Similarity | 0.7234 | NPC164664 |
Intermediate Similarity | 0.7228 | NPC213308 |
Intermediate Similarity | 0.7225 | NPC96890 |
Intermediate Similarity | 0.7222 | NPC324149 |
Intermediate Similarity | 0.722 | NPC476124 |
Intermediate Similarity | 0.722 | NPC476121 |
Intermediate Similarity | 0.7208 | NPC3715 |
Intermediate Similarity | 0.7202 | NPC266551 |
Intermediate Similarity | 0.7202 | NPC476451 |
Intermediate Similarity | 0.72 | NPC251090 |
Intermediate Similarity | 0.7189 | NPC63338 |
Intermediate Similarity | 0.7189 | NPC324203 |
Intermediate Similarity | 0.7189 | NPC322976 |
Intermediate Similarity | 0.7184 | NPC193238 |
Intermediate Similarity | 0.7174 | NPC269919 |
Intermediate Similarity | 0.7174 | NPC132680 |
Intermediate Similarity | 0.7157 | NPC296527 |
Intermediate Similarity | 0.7156 | NPC142901 |
Intermediate Similarity | 0.7143 | NPC314573 |
Intermediate Similarity | 0.7143 | NPC162530 |
Intermediate Similarity | 0.7121 | NPC76748 |
Intermediate Similarity | 0.7119 | NPC318935 |
Intermediate Similarity | 0.7115 | NPC185782 |
Intermediate Similarity | 0.7112 | NPC473057 |
Intermediate Similarity | 0.7097 | NPC131718 |
Intermediate Similarity | 0.7085 | NPC92111 |
Intermediate Similarity | 0.7083 | NPC130570 |
Intermediate Similarity | 0.7077 | NPC48938 |
Intermediate Similarity | 0.7062 | NPC476287 |
Intermediate Similarity | 0.7059 | NPC19872 |
Intermediate Similarity | 0.7059 | NPC176538 |
Intermediate Similarity | 0.7059 | NPC315957 |
Intermediate Similarity | 0.7042 | NPC473513 |
Intermediate Similarity | 0.7039 | NPC470404 |
Intermediate Similarity | 0.7039 | NPC476098 |
Intermediate Similarity | 0.7039 | NPC200836 |
Intermediate Similarity | 0.7039 | NPC53144 |
Intermediate Similarity | 0.7039 | NPC470403 |
Intermediate Similarity | 0.7039 | NPC470394 |
Intermediate Similarity | 0.7031 | NPC95898 |
Intermediate Similarity | 0.703 | NPC242209 |
Intermediate Similarity | 0.7028 | NPC237740 |
Intermediate Similarity | 0.7026 | NPC219963 |
Intermediate Similarity | 0.7026 | NPC161887 |
Intermediate Similarity | 0.7021 | NPC263439 |
Intermediate Similarity | 0.7021 | NPC211187 |
Intermediate Similarity | 0.702 | NPC66083 |
Intermediate Similarity | 0.7019 | NPC88008 |
Intermediate Similarity | 0.7014 | NPC26679 |
Intermediate Similarity | 0.701 | NPC287437 |
Intermediate Similarity | 0.701 | NPC88363 |
Intermediate Similarity | 0.7005 | NPC20249 |
Remote Similarity | 0.6986 | NPC171787 |
Remote Similarity | 0.6986 | NPC6215 |
Remote Similarity | 0.6985 | NPC472289 |
Remote Similarity | 0.6981 | NPC266931 |
Remote Similarity | 0.6981 | NPC477610 |
Remote Similarity | 0.698 | NPC276517 |
Remote Similarity | 0.6976 | NPC249040 |
Remote Similarity | 0.6968 | NPC224632 |
Remote Similarity | 0.6963 | NPC256828 |
Remote Similarity | 0.6963 | NPC304926 |
Remote Similarity | 0.6963 | NPC476041 |
Remote Similarity | 0.6961 | NPC470395 |
Remote Similarity | 0.6954 | NPC284559 |
Remote Similarity | 0.6951 | NPC24802 |
Remote Similarity | 0.6939 | NPC144114 |
Remote Similarity | 0.6931 | NPC102423 |
Remote Similarity | 0.6927 | NPC121658 |
Remote Similarity | 0.6927 | NPC14651 |
Remote Similarity | 0.6916 | NPC473312 |
Remote Similarity | 0.6905 | NPC287208 |
Remote Similarity | 0.6905 | NPC82548 |
Remote Similarity | 0.6893 | NPC234197 |
Remote Similarity | 0.689 | NPC474145 |
Remote Similarity | 0.689 | NPC475841 |
Remote Similarity | 0.6885 | NPC257142 |
Remote Similarity | 0.6878 | NPC79911 |
Remote Similarity | 0.6878 | NPC212213 |
Remote Similarity | 0.6875 | NPC476518 |
Remote Similarity | 0.687 | NPC161801 |
Remote Similarity | 0.6865 | NPC153769 |
Remote Similarity | 0.6864 | NPC214980 |
Remote Similarity | 0.6859 | NPC108469 |
Remote Similarity | 0.6857 | NPC53344 |
Remote Similarity | 0.6854 | NPC219087 |
Remote Similarity | 0.6854 | NPC316981 |
Remote Similarity | 0.6847 | NPC226202 |
Remote Similarity | 0.6844 | NPC470017 |
Remote Similarity | 0.6842 | NPC472259 |
Remote Similarity | 0.6839 | NPC158129 |
Remote Similarity | 0.6839 | NPC253810 |
Remote Similarity | 0.6837 | NPC72980 |
Remote Similarity | 0.6829 | NPC224928 |
Remote Similarity | 0.6828 | NPC26872 |
Remote Similarity | 0.6825 | NPC120798 |
Remote Similarity | 0.6823 | NPC278874 |
Remote Similarity | 0.682 | NPC17565 |
Remote Similarity | 0.6814 | NPC146724 |
Remote Similarity | 0.6814 | NPC470022 |
Remote Similarity | 0.6808 | NPC294375 |
Remote Similarity | 0.6804 | NPC216612 |
Remote Similarity | 0.6804 | NPC471294 |
Remote Similarity | 0.6804 | NPC208060 |
Remote Similarity | 0.6802 | NPC168486 |
Remote Similarity | 0.6802 | NPC222592 |
Remote Similarity | 0.6798 | NPC328029 |
Remote Similarity | 0.6798 | NPC133140 |
Remote Similarity | 0.6798 | NPC195268 |
Remote Similarity | 0.6797 | NPC471891 |
Remote Similarity | 0.6789 | NPC47298 |
Remote Similarity | 0.6789 | NPC315214 |
Remote Similarity | 0.6789 | NPC276657 |
Remote Similarity | 0.6788 | NPC126481 |
Remote Similarity | 0.6784 | NPC46358 |
Remote Similarity | 0.678 | NPC472193 |
Remote Similarity | 0.6777 | NPC270918 |
Remote Similarity | 0.6776 | NPC112206 |
Remote Similarity | 0.6776 | NPC202605 |
Remote Similarity | 0.6774 | NPC477609 |
Remote Similarity | 0.6774 | NPC284348 |
Remote Similarity | 0.6773 | NPC167908 |
TTD   | |
DrugBank   | DB01422 |
ChEMBL   | CHEMBL1454910 |
IUPHAR/BPS   | |
PharmaGKB   | PA164754993 |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | 67121 |
CAS Number   | 4008-48-4 |
Molecular Weight   | 190.04 |
ALogP   | 0.1998 |
MLogP   | 1.9 |
XLogP   | 1.741 |
HDA   | 1 |
HBD   | 1 |
Rotatable Bonds   | 3 |
TPSA   | 76.26 |
RO5 Violation   | 0 |