Drug ID:   | NPD721 |
Drug Name:   | Nalidixic Acid |
Molecular Formula:   | C12H12N2O3 |
Canonical SMILES:   | CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2 |
Standard InCHI:   | InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17) |
Standard InCHIKey:   | MHWLWQUZZRMNGJ-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
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 | NPC285923 |
Intermediate Similarity | 0.7725 | NPC202812 |
Intermediate Similarity | 0.7348 | NPC41717 |
Intermediate Similarity | 0.7211 | NPC476341 |
Intermediate Similarity | 0.7158 | NPC207851 |
Intermediate Similarity | 0.7157 | NPC248782 |
Intermediate Similarity | 0.7135 | NPC273532 |
Intermediate Similarity | 0.7129 | NPC243850 |
Intermediate Similarity | 0.712 | NPC470894 |
Intermediate Similarity | 0.7086 | NPC167400 |
Intermediate Similarity | 0.7079 | NPC70406 |
Intermediate Similarity | 0.7059 | NPC469529 |
Intermediate Similarity | 0.705 | NPC98864 |
Intermediate Similarity | 0.7043 | NPC249614 |
Intermediate Similarity | 0.7043 | NPC318183 |
Intermediate Similarity | 0.7039 | NPC251391 |
Intermediate Similarity | 0.7033 | NPC322644 |
Intermediate Similarity | 0.7023 | NPC116622 |
Intermediate Similarity | 0.7022 | NPC313889 |
Intermediate Similarity | 0.7019 | NPC147983 |
Intermediate Similarity | 0.7019 | NPC177996 |
Intermediate Similarity | 0.7016 | NPC159125 |
Intermediate Similarity | 0.7016 | NPC243058 |
Remote Similarity | 0.6984 | NPC219848 |
Remote Similarity | 0.6979 | NPC46895 |
Remote Similarity | 0.6979 | NPC203635 |
Remote Similarity | 0.697 | NPC472116 |
Remote Similarity | 0.6965 | NPC471944 |
Remote Similarity | 0.6947 | NPC256268 |
Remote Similarity | 0.6946 | NPC314648 |
Remote Similarity | 0.6938 | NPC62995 |
Remote Similarity | 0.6935 | NPC70949 |
Remote Similarity | 0.6932 | NPC159630 |
Remote Similarity | 0.6932 | NPC230085 |
Remote Similarity | 0.6931 | NPC57398 |
Remote Similarity | 0.6911 | NPC61011 |
Remote Similarity | 0.6907 | NPC90415 |
Remote Similarity | 0.6906 | NPC263455 |
Remote Similarity | 0.6906 | NPC209362 |
Remote Similarity | 0.69 | NPC474916 |
Remote Similarity | 0.6893 | NPC467188 |
Remote Similarity | 0.6884 | NPC472293 |
Remote Similarity | 0.6872 | NPC123906 |
Remote Similarity | 0.6872 | NPC206186 |
Remote Similarity | 0.6869 | NPC81802 |
Remote Similarity | 0.6869 | NPC247735 |
Remote Similarity | 0.6869 | NPC269886 |
Remote Similarity | 0.6869 | NPC472210 |
Remote Similarity | 0.6869 | NPC472295 |
Remote Similarity | 0.6865 | NPC265100 |
Remote Similarity | 0.6859 | NPC164340 |
Remote Similarity | 0.6851 | NPC312860 |
Remote Similarity | 0.6834 | NPC135950 |
Remote Similarity | 0.6834 | NPC19692 |
Remote Similarity | 0.6834 | NPC220151 |
Remote Similarity | 0.6829 | NPC313345 |
Remote Similarity | 0.6829 | NPC471191 |
Remote Similarity | 0.6829 | NPC315638 |
Remote Similarity | 0.6829 | NPC313796 |
Remote Similarity | 0.6829 | NPC314855 |
Remote Similarity | 0.6825 | NPC191310 |
Remote Similarity | 0.6823 | NPC73994 |
Remote Similarity | 0.6818 | NPC472292 |
Remote Similarity | 0.6816 | NPC105811 |
Remote Similarity | 0.6806 | NPC83774 |
Remote Similarity | 0.6804 | NPC21429 |
Remote Similarity | 0.6802 | NPC469489 |
Remote Similarity | 0.68 | NPC109922 |
Remote Similarity | 0.68 | NPC85443 |
Remote Similarity | 0.6796 | NPC314297 |
Remote Similarity | 0.6796 | NPC315545 |
Remote Similarity | 0.6794 | NPC153980 |
Remote Similarity | 0.6794 | NPC6865 |
Remote Similarity | 0.6789 | NPC303225 |
Remote Similarity | 0.6788 | NPC113626 |
Remote Similarity | 0.6786 | NPC472323 |
Remote Similarity | 0.6782 | NPC472296 |
Remote Similarity | 0.6782 | NPC472297 |
Remote Similarity | 0.6782 | NPC103361 |
Remote Similarity | 0.6779 | NPC309845 |
Remote Similarity | 0.6771 | NPC219336 |
Remote Similarity | 0.6768 | NPC114974 |
Remote Similarity | 0.6766 | NPC90229 |
Remote Similarity | 0.6758 | NPC107287 |
Remote Similarity | 0.6754 | NPC84347 |
Remote Similarity | 0.6751 | NPC44354 |
Remote Similarity | 0.6751 | NPC221873 |
Remote Similarity | 0.6751 | NPC175474 |
Remote Similarity | 0.6751 | NPC183805 |
Remote Similarity | 0.6746 | NPC72956 |
Remote Similarity | 0.6738 | NPC471130 |
Remote Similarity | 0.6736 | NPC15840 |
Remote Similarity | 0.6732 | NPC317572 |
Remote Similarity | 0.6722 | NPC112741 |
Remote Similarity | 0.672 | NPC88970 |
Remote Similarity | 0.6719 | NPC15573 |
Remote Similarity | 0.6719 | NPC183662 |
Remote Similarity | 0.6719 | NPC217372 |
Remote Similarity | 0.6717 | NPC83111 |
Remote Similarity | 0.6714 | NPC471193 |
Remote Similarity | 0.6714 | NPC471194 |
Remote Similarity | 0.6703 | NPC113812 |
Remote Similarity | 0.6703 | NPC470679 |
Remote Similarity | 0.6703 | NPC80681 |
Remote Similarity | 0.6703 | NPC217021 |
Remote Similarity | 0.6702 | NPC139763 |
Remote Similarity | 0.6702 | NPC475594 |
Remote Similarity | 0.6701 | NPC473815 |
Remote Similarity | 0.6701 | NPC278434 |
Remote Similarity | 0.67 | NPC123395 |
Remote Similarity | 0.6699 | NPC314834 |
Remote Similarity | 0.6699 | NPC473239 |
Remote Similarity | 0.6684 | NPC248462 |
Remote Similarity | 0.6684 | NPC55772 |
Remote Similarity | 0.6684 | NPC292265 |
Remote Similarity | 0.6683 | NPC141454 |
Remote Similarity | 0.6667 | NPC475607 |
Remote Similarity | 0.6667 | NPC302159 |
Remote Similarity | 0.6667 | NPC220851 |
Remote Similarity | 0.6667 | NPC476419 |
Remote Similarity | 0.6667 | NPC27904 |
Remote Similarity | 0.665 | NPC194040 |
Remote Similarity | 0.6649 | NPC213914 |
Remote Similarity | 0.6647 | NPC322488 |
Remote Similarity | 0.6634 | NPC79356 |
Remote Similarity | 0.6634 | NPC102592 |
Remote Similarity | 0.6633 | NPC258480 |
Remote Similarity | 0.6633 | NPC470003 |
Remote Similarity | 0.6633 | NPC154339 |
Remote Similarity | 0.6632 | NPC234987 |
Remote Similarity | 0.6632 | NPC474081 |
Remote Similarity | 0.662 | NPC471192 |
Remote Similarity | 0.6618 | NPC81535 |
Remote Similarity | 0.6617 | NPC267343 |
Remote Similarity | 0.6609 | NPC300299 |
Remote Similarity | 0.6599 | NPC282103 |
Remote Similarity | 0.6599 | NPC241025 |
Remote Similarity | 0.6591 | NPC114310 |
Remote Similarity | 0.6583 | NPC111602 |
Remote Similarity | 0.6583 | NPC102338 |
Remote Similarity | 0.6583 | NPC63199 |
Remote Similarity | 0.6583 | NPC196251 |
Remote Similarity | 0.658 | NPC267885 |
Remote Similarity | 0.6579 | NPC78020 |
Remote Similarity | 0.657 | NPC165599 |
Remote Similarity | 0.6569 | NPC52557 |
Remote Similarity | 0.6567 | NPC56170 |
Remote Similarity | 0.6567 | NPC55493 |
Remote Similarity | 0.6566 | NPC62749 |
Remote Similarity | 0.6566 | NPC141612 |
Remote Similarity | 0.6566 | NPC135601 |
Remote Similarity | 0.6566 | NPC17273 |
Remote Similarity | 0.6564 | NPC317010 |
Remote Similarity | 0.656 | NPC229893 |
Remote Similarity | 0.6559 | NPC116573 |
Remote Similarity | 0.6553 | NPC74619 |
Remote Similarity | 0.655 | NPC314333 |
Remote Similarity | 0.6546 | NPC111275 |
Remote Similarity | 0.6541 | NPC229055 |
Remote Similarity | 0.6538 | NPC472259 |
Remote Similarity | 0.6538 | NPC100726 |
Remote Similarity | 0.6538 | NPC132539 |
Remote Similarity | 0.6537 | NPC241024 |
Remote Similarity | 0.6535 | NPC45850 |
Remote Similarity | 0.6528 | NPC203468 |
Remote Similarity | 0.6528 | NPC110500 |
Remote Similarity | 0.6528 | NPC149155 |
Remote Similarity | 0.6524 | NPC116555 |
Remote Similarity | 0.6522 | NPC328318 |
Remote Similarity | 0.6522 | NPC328596 |
Remote Similarity | 0.6519 | NPC478039 |
Remote Similarity | 0.6513 | NPC475761 |
Remote Similarity | 0.6513 | NPC126709 |
Remote Similarity | 0.6513 | NPC248041 |
Remote Similarity | 0.6513 | NPC474041 |
Remote Similarity | 0.6505 | NPC313985 |
Remote Similarity | 0.6505 | NPC49196 |
Remote Similarity | 0.6505 | NPC81654 |
Remote Similarity | 0.6505 | NPC79129 |
Remote Similarity | 0.6505 | NPC74357 |
Remote Similarity | 0.6505 | NPC195461 |
Remote Similarity | 0.6505 | NPC249150 |
Remote Similarity | 0.6502 | NPC146724 |
Remote Similarity | 0.6502 | NPC57994 |
Remote Similarity | 0.6502 | NPC289299 |
Remote Similarity | 0.65 | NPC472289 |
Remote Similarity | 0.65 | NPC314186 |
Remote Similarity | 0.6497 | NPC143533 |
Remote Similarity | 0.6495 | NPC151635 |
Remote Similarity | 0.6493 | NPC472752 |
Remote Similarity | 0.6492 | NPC278874 |
Remote Similarity | 0.6489 | NPC100104 |
Remote Similarity | 0.6489 | NPC470680 |
Remote Similarity | 0.6488 | NPC50503 |
Remote Similarity | 0.6482 | NPC478077 |
Remote Similarity | 0.6482 | NPC66210 |
Remote Similarity | 0.6482 | NPC118084 |
Remote Similarity | 0.648 | NPC475685 |
Remote Similarity | 0.648 | NPC469896 |
Remote Similarity | 0.648 | NPC88110 |
Molecular Weight   | 232.08 |
ALogP   | 0.053 |
MLogP   | 2.23 |
XLogP   | 2.507 |
HDA   | 5 |
HBD   | 1 |
Rotatable Bonds   | 5 |
TPSA   | 70.5 |
RO5 Violation   | 0 |