Drug ID:   | NPD863 |
Drug Name:   | Pirbuterol |
Molecular Formula:   | C12H20N2O3 |
Canonical SMILES:   | OCc1nc(ccc1O)C(CNC(C)(C)C)O |
Standard InCHI:   | InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3 |
Standard InCHIKey:   | VQDBNKDJNJQRDG-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 |
---|---|---|
High Similarity | 0.9 | NPC470395 |
High Similarity | 0.8867 | NPC470394 |
High Similarity | 0.8867 | NPC470403 |
High Similarity | 0.8867 | NPC470404 |
Intermediate Similarity | 0.8354 | NPC284348 |
Intermediate Similarity | 0.8333 | NPC220523 |
Intermediate Similarity | 0.8165 | NPC257142 |
Intermediate Similarity | 0.8125 | NPC153769 |
Intermediate Similarity | 0.7987 | NPC161292 |
Intermediate Similarity | 0.7818 | NPC116573 |
Intermediate Similarity | 0.7725 | NPC324203 |
Intermediate Similarity | 0.7725 | NPC63338 |
Intermediate Similarity | 0.7725 | NPC322976 |
Intermediate Similarity | 0.7665 | NPC84508 |
Intermediate Similarity | 0.7605 | NPC269919 |
Intermediate Similarity | 0.7605 | NPC132680 |
Intermediate Similarity | 0.7558 | NPC126481 |
Intermediate Similarity | 0.7531 | NPC471598 |
Intermediate Similarity | 0.75 | NPC44161 |
Intermediate Similarity | 0.75 | NPC174421 |
Intermediate Similarity | 0.7485 | NPC63562 |
Intermediate Similarity | 0.7471 | NPC259545 |
Intermediate Similarity | 0.7427 | NPC263439 |
Intermediate Similarity | 0.7414 | NPC252590 |
Intermediate Similarity | 0.7412 | NPC25899 |
Intermediate Similarity | 0.7401 | NPC232340 |
Intermediate Similarity | 0.7368 | NPC47298 |
Intermediate Similarity | 0.7368 | NPC315214 |
Intermediate Similarity | 0.7356 | NPC314940 |
Intermediate Similarity | 0.7356 | NPC473764 |
Intermediate Similarity | 0.7356 | NPC256828 |
Intermediate Similarity | 0.7346 | NPC318935 |
Intermediate Similarity | 0.7326 | NPC159319 |
Intermediate Similarity | 0.7326 | NPC32028 |
Intermediate Similarity | 0.7322 | NPC3715 |
Intermediate Similarity | 0.7318 | NPC161887 |
Intermediate Similarity | 0.7318 | NPC219963 |
Intermediate Similarity | 0.7297 | NPC226202 |
Intermediate Similarity | 0.7284 | NPC280853 |
Intermediate Similarity | 0.7267 | NPC48192 |
Intermediate Similarity | 0.7263 | NPC478032 |
Intermediate Similarity | 0.7239 | NPC285016 |
Intermediate Similarity | 0.7239 | NPC245657 |
Intermediate Similarity | 0.7222 | NPC471596 |
Intermediate Similarity | 0.7216 | NPC253810 |
Intermediate Similarity | 0.7191 | NPC194724 |
Intermediate Similarity | 0.7188 | NPC470500 |
Intermediate Similarity | 0.7172 | NPC477110 |
Intermediate Similarity | 0.7168 | NPC79911 |
Intermediate Similarity | 0.7165 | NPC477111 |
Intermediate Similarity | 0.7143 | NPC108469 |
Intermediate Similarity | 0.7143 | NPC320394 |
Intermediate Similarity | 0.7127 | NPC266551 |
Intermediate Similarity | 0.7126 | NPC473057 |
Intermediate Similarity | 0.7126 | NPC211187 |
Intermediate Similarity | 0.711 | NPC120798 |
Intermediate Similarity | 0.7104 | NPC314002 |
Intermediate Similarity | 0.7104 | NPC42591 |
Intermediate Similarity | 0.7099 | NPC328029 |
Intermediate Similarity | 0.7091 | NPC60553 |
Intermediate Similarity | 0.7086 | NPC471178 |
Intermediate Similarity | 0.7079 | NPC471294 |
Intermediate Similarity | 0.7073 | NPC244536 |
Intermediate Similarity | 0.7069 | NPC471177 |
Intermediate Similarity | 0.7069 | NPC124542 |
Intermediate Similarity | 0.7069 | NPC59779 |
Intermediate Similarity | 0.7068 | NPC249040 |
Intermediate Similarity | 0.7065 | NPC171171 |
Intermediate Similarity | 0.7062 | NPC477113 |
Intermediate Similarity | 0.7049 | NPC204717 |
Intermediate Similarity | 0.7026 | NPC316403 |
Intermediate Similarity | 0.7021 | NPC45850 |
Intermediate Similarity | 0.7017 | NPC42979 |
Intermediate Similarity | 0.7016 | NPC476167 |
Intermediate Similarity | 0.7012 | NPC471594 |
Intermediate Similarity | 0.7005 | NPC5145 |
Intermediate Similarity | 0.7 | NPC224764 |
Remote Similarity | 0.6995 | NPC220765 |
Remote Similarity | 0.6973 | NPC314573 |
Remote Similarity | 0.6971 | NPC177404 |
Remote Similarity | 0.6963 | NPC192315 |
Remote Similarity | 0.6961 | NPC283152 |
Remote Similarity | 0.6961 | NPC184964 |
Remote Similarity | 0.6957 | NPC62069 |
Remote Similarity | 0.6935 | NPC46580 |
Remote Similarity | 0.6932 | NPC118511 |
Remote Similarity | 0.6931 | NPC314270 |
Remote Similarity | 0.6927 | NPC158129 |
Remote Similarity | 0.6927 | NPC18487 |
Remote Similarity | 0.6923 | NPC72980 |
Remote Similarity | 0.6923 | NPC165349 |
Remote Similarity | 0.6923 | NPC118832 |
Remote Similarity | 0.6923 | NPC47059 |
Remote Similarity | 0.6923 | NPC274291 |
Remote Similarity | 0.6923 | NPC264166 |
Remote Similarity | 0.6923 | NPC329708 |
Remote Similarity | 0.6919 | NPC20249 |
Remote Similarity | 0.6915 | NPC288349 |
Remote Similarity | 0.6899 | NPC151489 |
Remote Similarity | 0.6898 | NPC32771 |
Remote Similarity | 0.6898 | NPC110741 |
Remote Similarity | 0.6897 | NPC313804 |
Remote Similarity | 0.6897 | NPC315804 |
Remote Similarity | 0.6878 | NPC99666 |
Remote Similarity | 0.6875 | NPC472284 |
Remote Similarity | 0.6872 | NPC476098 |
Remote Similarity | 0.6851 | NPC95898 |
Remote Similarity | 0.6848 | NPC314394 |
Remote Similarity | 0.6847 | NPC469594 |
Remote Similarity | 0.6842 | NPC84853 |
Remote Similarity | 0.6839 | NPC141353 |
Remote Similarity | 0.6836 | NPC469813 |
Remote Similarity | 0.6836 | NPC102423 |
Remote Similarity | 0.6836 | NPC78375 |
Remote Similarity | 0.6836 | NPC476446 |
Remote Similarity | 0.6833 | NPC14651 |
Remote Similarity | 0.6833 | NPC121658 |
Remote Similarity | 0.6828 | NPC241025 |
Remote Similarity | 0.6821 | NPC36168 |
Remote Similarity | 0.6821 | NPC26872 |
Remote Similarity | 0.6818 | NPC18348 |
Remote Similarity | 0.6816 | NPC471080 |
Remote Similarity | 0.6816 | NPC469592 |
Remote Similarity | 0.6813 | NPC203754 |
Remote Similarity | 0.6813 | NPC150048 |
Remote Similarity | 0.6811 | NPC133306 |
Remote Similarity | 0.68 | NPC138018 |
Remote Similarity | 0.6796 | NPC478141 |
Remote Similarity | 0.6796 | NPC34508 |
Remote Similarity | 0.6796 | NPC313791 |
Remote Similarity | 0.6796 | NPC474409 |
Remote Similarity | 0.6793 | NPC325705 |
Remote Similarity | 0.6793 | NPC52831 |
Remote Similarity | 0.6789 | NPC324149 |
Remote Similarity | 0.6778 | NPC476518 |
Remote Similarity | 0.6776 | NPC96890 |
Remote Similarity | 0.6771 | NPC251090 |
Remote Similarity | 0.6754 | NPC279401 |
Remote Similarity | 0.6754 | NPC230403 |
Remote Similarity | 0.6754 | NPC79293 |
Remote Similarity | 0.6754 | NPC307963 |
Remote Similarity | 0.6753 | NPC128823 |
Remote Similarity | 0.6749 | NPC470799 |
Remote Similarity | 0.6749 | NPC8022 |
Remote Similarity | 0.6742 | NPC476118 |
Remote Similarity | 0.6739 | NPC88363 |
Remote Similarity | 0.6736 | NPC77555 |
Remote Similarity | 0.6736 | NPC156704 |
Remote Similarity | 0.6723 | NPC131718 |
Remote Similarity | 0.6721 | NPC288943 |
Remote Similarity | 0.672 | NPC183805 |
Remote Similarity | 0.672 | NPC230805 |
Remote Similarity | 0.672 | NPC48938 |
Remote Similarity | 0.6718 | NPC19872 |
Remote Similarity | 0.6717 | NPC472286 |
Remote Similarity | 0.6717 | NPC472287 |
Remote Similarity | 0.6708 | NPC278451 |
Remote Similarity | 0.6703 | NPC249662 |
Remote Similarity | 0.6667 | NPC66083 |
Remote Similarity | 0.6667 | NPC475070 |
Remote Similarity | 0.6667 | NPC137929 |
Remote Similarity | 0.6667 | NPC164374 |
Remote Similarity | 0.6667 | NPC187558 |
Remote Similarity | 0.6667 | NPC289786 |
Remote Similarity | 0.665 | NPC475910 |
Remote Similarity | 0.6649 | NPC469390 |
Remote Similarity | 0.6649 | NPC270009 |
Remote Similarity | 0.6648 | NPC311276 |
Remote Similarity | 0.6635 | NPC470501 |
Remote Similarity | 0.6633 | NPC472111 |
Remote Similarity | 0.6633 | NPC315491 |
Remote Similarity | 0.6633 | NPC45459 |
Remote Similarity | 0.6632 | NPC276517 |
Remote Similarity | 0.663 | NPC134586 |
Remote Similarity | 0.6618 | NPC132642 |
Remote Similarity | 0.6617 | NPC469589 |
Remote Similarity | 0.6612 | NPC111624 |
Remote Similarity | 0.661 | NPC26850 |
Remote Similarity | 0.6605 | NPC471313 |
Remote Similarity | 0.6605 | NPC471311 |
Remote Similarity | 0.66 | NPC88008 |
Remote Similarity | 0.6598 | NPC242209 |
Remote Similarity | 0.6597 | NPC76748 |
Remote Similarity | 0.6597 | NPC144381 |
Remote Similarity | 0.6595 | NPC211997 |
Remote Similarity | 0.6595 | NPC293472 |
Remote Similarity | 0.6591 | NPC470507 |
Remote Similarity | 0.6588 | NPC186351 |
Remote Similarity | 0.6587 | NPC470502 |
Remote Similarity | 0.658 | NPC106937 |
Remote Similarity | 0.6578 | NPC192270 |
Remote Similarity | 0.6578 | NPC118776 |
Remote Similarity | 0.6575 | NPC41717 |
Remote Similarity | 0.6568 | NPC85443 |
Remote Similarity | 0.6566 | NPC66815 |
Remote Similarity | 0.6564 | NPC473814 |
Remote Similarity | 0.6564 | NPC224928 |
Remote Similarity | 0.6564 | NPC267928 |
Remote Similarity | 0.6564 | NPC78767 |
Remote Similarity | 0.6562 | NPC92111 |
Molecular Weight   | 240.15 |
ALogP   | -0.7949 |
MLogP   | 2.23 |
XLogP   | 0.547 |
HDA   | 4 |
HBD   | 4 |
Rotatable Bonds   | 11 |
TPSA   | 85.61 |
RO5 Violation   | 0 |