Drug ID:   | NPD460 |
Drug Name:   | piroximone |
Molecular Formula:   | C11H11N3O2 |
Canonical SMILES:   | CCc1nc([nH]c1C(=O)c1ccncc1)O |
Standard InCHI:   | InChI=1S/C11H11N3O2/c1-2-8-9(14-11(16)13-8)10(15)7-3-5-12-6-4-7/h3-6H,2H2,1H3,(H2,13,14,16) |
Standard InCHIKey:   | OQGWJZOWLHWFME-UHFFFAOYSA-N |
Max Developmental Stage:   | Discontinued |
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 | 0.8586 | NPC116555 |
Intermediate Similarity | 0.815 | NPC267811 |
Intermediate Similarity | 0.8142 | NPC191415 |
Intermediate Similarity | 0.7812 | NPC326422 |
Intermediate Similarity | 0.7807 | NPC102755 |
Intermediate Similarity | 0.7689 | NPC470323 |
Intermediate Similarity | 0.7653 | NPC935 |
Intermediate Similarity | 0.7653 | NPC267078 |
Intermediate Similarity | 0.7632 | NPC476341 |
Intermediate Similarity | 0.7617 | NPC474357 |
Intermediate Similarity | 0.7606 | NPC73994 |
Intermediate Similarity | 0.7569 | NPC470680 |
Intermediate Similarity | 0.7569 | NPC100104 |
Intermediate Similarity | 0.7561 | NPC282247 |
Intermediate Similarity | 0.755 | NPC317701 |
Intermediate Similarity | 0.7541 | NPC233380 |
Intermediate Similarity | 0.754 | NPC151635 |
Intermediate Similarity | 0.7525 | NPC237414 |
Intermediate Similarity | 0.7514 | NPC474492 |
Intermediate Similarity | 0.75 | NPC83774 |
Intermediate Similarity | 0.7487 | NPC317054 |
Intermediate Similarity | 0.7486 | NPC251391 |
Intermediate Similarity | 0.7458 | NPC105811 |
Intermediate Similarity | 0.7444 | NPC209362 |
Intermediate Similarity | 0.7443 | NPC467188 |
Intermediate Similarity | 0.743 | NPC70406 |
Intermediate Similarity | 0.7421 | NPC61011 |
Intermediate Similarity | 0.7416 | NPC282531 |
Intermediate Similarity | 0.7407 | NPC240088 |
Intermediate Similarity | 0.7407 | NPC284775 |
Intermediate Similarity | 0.7407 | NPC473380 |
Intermediate Similarity | 0.7396 | NPC477003 |
Intermediate Similarity | 0.7385 | NPC324091 |
Intermediate Similarity | 0.7368 | NPC265710 |
Intermediate Similarity | 0.7337 | NPC167710 |
Intermediate Similarity | 0.733 | NPC16659 |
Intermediate Similarity | 0.7318 | NPC123906 |
Intermediate Similarity | 0.7306 | NPC46895 |
Intermediate Similarity | 0.7286 | NPC79356 |
Intermediate Similarity | 0.7286 | NPC102592 |
Intermediate Similarity | 0.7283 | NPC470204 |
Intermediate Similarity | 0.7278 | NPC473878 |
Intermediate Similarity | 0.7278 | NPC313889 |
Intermediate Similarity | 0.7268 | NPC213914 |
Intermediate Similarity | 0.7261 | NPC74619 |
Intermediate Similarity | 0.7259 | NPC476460 |
Intermediate Similarity | 0.7258 | NPC42372 |
Intermediate Similarity | 0.7249 | NPC252572 |
Intermediate Similarity | 0.7243 | NPC470203 |
Intermediate Similarity | 0.7238 | NPC217021 |
Intermediate Similarity | 0.7238 | NPC470679 |
Intermediate Similarity | 0.7238 | NPC472260 |
Intermediate Similarity | 0.7231 | NPC476527 |
Intermediate Similarity | 0.7217 | NPC63109 |
Intermediate Similarity | 0.7211 | NPC293216 |
Intermediate Similarity | 0.7204 | NPC27041 |
Intermediate Similarity | 0.7182 | NPC471655 |
Intermediate Similarity | 0.7181 | NPC70949 |
Intermediate Similarity | 0.7178 | NPC81535 |
Intermediate Similarity | 0.7158 | NPC229055 |
Intermediate Similarity | 0.715 | NPC266249 |
Intermediate Similarity | 0.7135 | NPC300238 |
Intermediate Similarity | 0.7135 | NPC80681 |
Intermediate Similarity | 0.7129 | NPC54981 |
Intermediate Similarity | 0.7126 | NPC291517 |
Intermediate Similarity | 0.7121 | NPC154339 |
Intermediate Similarity | 0.712 | NPC74357 |
Intermediate Similarity | 0.7112 | NPC265100 |
Intermediate Similarity | 0.7112 | NPC274981 |
Intermediate Similarity | 0.711 | NPC156003 |
Intermediate Similarity | 0.71 | NPC304203 |
Intermediate Similarity | 0.71 | NPC267343 |
Intermediate Similarity | 0.7097 | NPC122141 |
Intermediate Similarity | 0.7095 | NPC470702 |
Intermediate Similarity | 0.7095 | NPC473218 |
Intermediate Similarity | 0.7087 | NPC472259 |
Intermediate Similarity | 0.7083 | NPC229893 |
Intermediate Similarity | 0.7081 | NPC123839 |
Intermediate Similarity | 0.7074 | NPC115232 |
Intermediate Similarity | 0.7072 | NPC179787 |
Intermediate Similarity | 0.7072 | NPC201380 |
Intermediate Similarity | 0.7065 | NPC202812 |
Intermediate Similarity | 0.7062 | NPC470703 |
Intermediate Similarity | 0.7062 | NPC40530 |
Intermediate Similarity | 0.7062 | NPC314281 |
Intermediate Similarity | 0.7059 | NPC242116 |
Intermediate Similarity | 0.7056 | NPC135601 |
Intermediate Similarity | 0.7056 | NPC141612 |
Intermediate Similarity | 0.7056 | NPC62749 |
Intermediate Similarity | 0.7056 | NPC17273 |
Intermediate Similarity | 0.7047 | NPC157583 |
Intermediate Similarity | 0.7041 | NPC21429 |
Intermediate Similarity | 0.7041 | NPC285923 |
Intermediate Similarity | 0.7033 | NPC321911 |
Intermediate Similarity | 0.7031 | NPC469529 |
Intermediate Similarity | 0.7026 | NPC470677 |
Intermediate Similarity | 0.7024 | NPC469308 |
Intermediate Similarity | 0.7017 | NPC63545 |
Intermediate Similarity | 0.7016 | NPC54214 |
Intermediate Similarity | 0.7014 | NPC471603 |
Intermediate Similarity | 0.7014 | NPC471193 |
Intermediate Similarity | 0.7014 | NPC471194 |
Intermediate Similarity | 0.7005 | NPC133003 |
Intermediate Similarity | 0.7 | NPC69843 |
Remote Similarity | 0.6986 | NPC71238 |
Remote Similarity | 0.6978 | NPC114209 |
Remote Similarity | 0.6978 | NPC100726 |
Remote Similarity | 0.6978 | NPC469811 |
Remote Similarity | 0.6976 | NPC121327 |
Remote Similarity | 0.6974 | NPC477042 |
Remote Similarity | 0.6968 | NPC225018 |
Remote Similarity | 0.6965 | NPC216550 |
Remote Similarity | 0.6947 | NPC49217 |
Remote Similarity | 0.6947 | NPC114637 |
Remote Similarity | 0.6946 | NPC128244 |
Remote Similarity | 0.6944 | NPC190296 |
Remote Similarity | 0.6935 | NPC278434 |
Remote Similarity | 0.6934 | NPC153980 |
Remote Similarity | 0.6934 | NPC6865 |
Remote Similarity | 0.6931 | NPC478184 |
Remote Similarity | 0.6931 | NPC188821 |
Remote Similarity | 0.6931 | NPC474180 |
Remote Similarity | 0.6927 | NPC477004 |
Remote Similarity | 0.6916 | NPC147983 |
Remote Similarity | 0.6916 | NPC177996 |
Remote Similarity | 0.6912 | NPC475286 |
Remote Similarity | 0.6912 | NPC174281 |
Remote Similarity | 0.6908 | NPC143977 |
Remote Similarity | 0.6898 | NPC236711 |
Remote Similarity | 0.6888 | NPC88110 |
Remote Similarity | 0.6887 | NPC72956 |
Remote Similarity | 0.6881 | NPC47190 |
Remote Similarity | 0.6878 | NPC474916 |
Remote Similarity | 0.6868 | NPC314372 |
Remote Similarity | 0.6863 | NPC476526 |
Remote Similarity | 0.6863 | NPC48117 |
Remote Similarity | 0.6863 | NPC329765 |
Remote Similarity | 0.6862 | NPC293487 |
Remote Similarity | 0.6861 | NPC207686 |
Remote Similarity | 0.6854 | NPC118940 |
Remote Similarity | 0.6851 | NPC42483 |
Remote Similarity | 0.6849 | NPC122436 |
Remote Similarity | 0.6845 | NPC19696 |
Remote Similarity | 0.6845 | NPC136957 |
Remote Similarity | 0.6842 | NPC478182 |
Remote Similarity | 0.6842 | NPC295452 |
Remote Similarity | 0.6842 | NPC171393 |
Remote Similarity | 0.6839 | NPC262338 |
Remote Similarity | 0.6837 | NPC11126 |
Remote Similarity | 0.6832 | NPC138370 |
Remote Similarity | 0.6832 | NPC210123 |
Remote Similarity | 0.6831 | NPC77101 |
Remote Similarity | 0.6828 | NPC325903 |
Remote Similarity | 0.6827 | NPC57398 |
Remote Similarity | 0.6816 | NPC209917 |
Remote Similarity | 0.6796 | NPC474389 |
Remote Similarity | 0.6789 | NPC214106 |
Remote Similarity | 0.6786 | NPC200553 |
Remote Similarity | 0.6786 | NPC237188 |
Remote Similarity | 0.6786 | NPC279189 |
Remote Similarity | 0.6784 | NPC110158 |
Remote Similarity | 0.6776 | NPC159856 |
Remote Similarity | 0.6771 | NPC41717 |
Remote Similarity | 0.6771 | NPC56233 |
Remote Similarity | 0.6768 | NPC307191 |
Remote Similarity | 0.6763 | NPC284338 |
Remote Similarity | 0.6761 | NPC471322 |
Remote Similarity | 0.676 | NPC472288 |
Remote Similarity | 0.6759 | NPC322064 |
Remote Similarity | 0.6759 | NPC471192 |
Remote Similarity | 0.6753 | NPC477418 |
Remote Similarity | 0.6753 | NPC477420 |
Remote Similarity | 0.6751 | NPC55772 |
Remote Similarity | 0.6751 | NPC248041 |
Remote Similarity | 0.6751 | NPC126709 |
Remote Similarity | 0.6748 | NPC106824 |
Remote Similarity | 0.6746 | NPC106757 |
Remote Similarity | 0.6745 | NPC476524 |
Remote Similarity | 0.6742 | NPC23215 |
Remote Similarity | 0.6739 | NPC143872 |
Remote Similarity | 0.6735 | NPC267885 |
Remote Similarity | 0.6733 | NPC255909 |
Remote Similarity | 0.673 | NPC472065 |
Remote Similarity | 0.6726 | NPC174489 |
Remote Similarity | 0.672 | NPC105818 |
Remote Similarity | 0.672 | NPC24678 |
Remote Similarity | 0.6719 | NPC2414 |
Remote Similarity | 0.6717 | NPC24864 |
Remote Similarity | 0.6716 | NPC94752 |
Remote Similarity | 0.6704 | NPC216159 |
Remote Similarity | 0.6703 | NPC470111 |
Remote Similarity | 0.6703 | NPC471957 |
Remote Similarity | 0.6702 | NPC478185 |
Remote Similarity | 0.6702 | NPC120070 |
Remote Similarity | 0.6701 | NPC471943 |
Remote Similarity | 0.6701 | NPC32534 |
Remote Similarity | 0.67 | NPC228835 |
Remote Similarity | 0.6696 | NPC162002 |
Remote Similarity | 0.6685 | NPC204141 |
Remote Similarity | 0.6684 | NPC149155 |
TTD   | DIB007894 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 217.09 |
ALogP   | -1.3812 |
MLogP   | 2.12 |
XLogP   | 0.885 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 5 |
TPSA   | 78.87 |
RO5 Violation   | 0 |