Drug ID:   | NPD683 |
Drug Name:   | Cinoxacin |
Molecular Formula:   | C12H10N2O5 |
Canonical SMILES:   | CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2 |
Standard InCHI:   | InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17) |
Standard InCHIKey:   | VDUWPHTZYNWKRN-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 |
---|---|---|
Intermediate Similarity | 0.7887 | NPC5167 |
Intermediate Similarity | 0.7704 | NPC85613 |
Intermediate Similarity | 0.7692 | NPC268077 |
Intermediate Similarity | 0.7674 | NPC195120 |
Intermediate Similarity | 0.7674 | NPC87560 |
Intermediate Similarity | 0.756 | NPC207971 |
Intermediate Similarity | 0.7559 | NPC220241 |
Intermediate Similarity | 0.7559 | NPC295479 |
Intermediate Similarity | 0.7549 | NPC254957 |
Intermediate Similarity | 0.7523 | NPC157983 |
Intermediate Similarity | 0.7523 | NPC118154 |
Intermediate Similarity | 0.7488 | NPC71124 |
Intermediate Similarity | 0.7442 | NPC119722 |
Intermediate Similarity | 0.7441 | NPC475147 |
Intermediate Similarity | 0.7437 | NPC283810 |
Intermediate Similarity | 0.7385 | NPC126556 |
Intermediate Similarity | 0.7371 | NPC299582 |
Intermediate Similarity | 0.7368 | NPC5374 |
Intermediate Similarity | 0.7352 | NPC182853 |
Intermediate Similarity | 0.7349 | NPC269449 |
Intermediate Similarity | 0.7302 | NPC475133 |
Intermediate Similarity | 0.722 | NPC148124 |
Intermediate Similarity | 0.7216 | NPC93653 |
Intermediate Similarity | 0.7196 | NPC163829 |
Intermediate Similarity | 0.7175 | NPC118189 |
Intermediate Similarity | 0.7175 | NPC99724 |
Intermediate Similarity | 0.7175 | NPC128476 |
Intermediate Similarity | 0.7169 | NPC268223 |
Intermediate Similarity | 0.715 | NPC41216 |
Intermediate Similarity | 0.7123 | NPC10732 |
Intermediate Similarity | 0.7117 | NPC134702 |
Intermediate Similarity | 0.7115 | NPC1820 |
Intermediate Similarity | 0.7098 | NPC76478 |
Intermediate Similarity | 0.7094 | NPC98416 |
Intermediate Similarity | 0.7093 | NPC248903 |
Intermediate Similarity | 0.7091 | NPC114468 |
Intermediate Similarity | 0.7083 | NPC158551 |
Intermediate Similarity | 0.708 | NPC19175 |
Intermediate Similarity | 0.7072 | NPC313327 |
Intermediate Similarity | 0.7072 | NPC195636 |
Intermediate Similarity | 0.7059 | NPC148391 |
Intermediate Similarity | 0.7059 | NPC2905 |
Intermediate Similarity | 0.7059 | NPC55470 |
Intermediate Similarity | 0.7048 | NPC26928 |
Intermediate Similarity | 0.7045 | NPC127996 |
Intermediate Similarity | 0.7045 | NPC470482 |
Intermediate Similarity | 0.7045 | NPC470481 |
Intermediate Similarity | 0.7044 | NPC287152 |
Intermediate Similarity | 0.7022 | NPC46259 |
Intermediate Similarity | 0.7012 | NPC303374 |
Intermediate Similarity | 0.7 | NPC114039 |
Intermediate Similarity | 0.7 | NPC206109 |
Intermediate Similarity | 0.7 | NPC82541 |
Remote Similarity | 0.6978 | NPC476069 |
Remote Similarity | 0.6974 | NPC476436 |
Remote Similarity | 0.6968 | NPC116178 |
Remote Similarity | 0.6959 | NPC87714 |
Remote Similarity | 0.6953 | NPC291173 |
Remote Similarity | 0.6946 | NPC67978 |
Remote Similarity | 0.6946 | NPC303581 |
Remote Similarity | 0.6937 | NPC321166 |
Remote Similarity | 0.6937 | NPC217903 |
Remote Similarity | 0.6936 | NPC168922 |
Remote Similarity | 0.6931 | NPC86469 |
Remote Similarity | 0.693 | NPC122886 |
Remote Similarity | 0.6923 | NPC116007 |
Remote Similarity | 0.6919 | NPC226708 |
Remote Similarity | 0.6916 | NPC23080 |
Remote Similarity | 0.6916 | NPC193906 |
Remote Similarity | 0.6912 | NPC9475 |
Remote Similarity | 0.6904 | NPC1608 |
Remote Similarity | 0.6895 | NPC198160 |
Remote Similarity | 0.6878 | NPC308267 |
Remote Similarity | 0.6872 | NPC7560 |
Remote Similarity | 0.6872 | NPC22476 |
Remote Similarity | 0.6867 | NPC172222 |
Remote Similarity | 0.6864 | NPC330683 |
Remote Similarity | 0.6864 | NPC329567 |
Remote Similarity | 0.6854 | NPC469816 |
Remote Similarity | 0.6854 | NPC469815 |
Remote Similarity | 0.685 | NPC24954 |
Remote Similarity | 0.6842 | NPC83511 |
Remote Similarity | 0.6824 | NPC476429 |
Remote Similarity | 0.6822 | NPC33256 |
Remote Similarity | 0.6818 | NPC212123 |
Remote Similarity | 0.6818 | NPC478075 |
Remote Similarity | 0.6812 | NPC121400 |
Remote Similarity | 0.6806 | NPC207239 |
Remote Similarity | 0.6804 | NPC14339 |
Remote Similarity | 0.6797 | NPC13249 |
Remote Similarity | 0.6792 | NPC28510 |
Remote Similarity | 0.6791 | NPC472191 |
Remote Similarity | 0.6787 | NPC207873 |
Remote Similarity | 0.6787 | NPC100573 |
Remote Similarity | 0.6782 | NPC306669 |
Remote Similarity | 0.6781 | NPC217176 |
Remote Similarity | 0.6779 | NPC27887 |
Remote Similarity | 0.6774 | NPC127178 |
Remote Similarity | 0.6773 | NPC477161 |
Remote Similarity | 0.6769 | NPC470088 |
Remote Similarity | 0.6766 | NPC476220 |
Remote Similarity | 0.6766 | NPC160113 |
Remote Similarity | 0.6754 | NPC10653 |
Remote Similarity | 0.6754 | NPC318525 |
Remote Similarity | 0.6745 | NPC45389 |
Remote Similarity | 0.6744 | NPC125924 |
Remote Similarity | 0.6742 | NPC308943 |
Remote Similarity | 0.6742 | NPC16249 |
Remote Similarity | 0.6741 | NPC159815 |
Remote Similarity | 0.6736 | NPC469978 |
Remote Similarity | 0.6729 | NPC203972 |
Remote Similarity | 0.6725 | NPC329830 |
Remote Similarity | 0.6724 | NPC470480 |
Remote Similarity | 0.6722 | NPC107123 |
Remote Similarity | 0.6717 | NPC470708 |
Remote Similarity | 0.6714 | NPC203628 |
Remote Similarity | 0.6713 | NPC24228 |
Remote Similarity | 0.6712 | NPC15987 |
Remote Similarity | 0.6712 | NPC90185 |
Remote Similarity | 0.6711 | NPC30749 |
Remote Similarity | 0.6708 | NPC188400 |
Remote Similarity | 0.6699 | NPC8467 |
Remote Similarity | 0.6698 | NPC198401 |
Remote Similarity | 0.6698 | NPC477186 |
Remote Similarity | 0.6698 | NPC169387 |
Remote Similarity | 0.6698 | NPC477259 |
Remote Similarity | 0.6695 | NPC253675 |
Remote Similarity | 0.6695 | NPC246381 |
Remote Similarity | 0.6682 | NPC234933 |
Remote Similarity | 0.6682 | NPC473460 |
Remote Similarity | 0.6682 | NPC100863 |
Remote Similarity | 0.6681 | NPC285254 |
Remote Similarity | 0.668 | NPC477393 |
Remote Similarity | 0.6667 | NPC173250 |
Remote Similarity | 0.6667 | NPC474059 |
Remote Similarity | 0.6667 | NPC5630 |
Remote Similarity | 0.6667 | NPC477258 |
Remote Similarity | 0.6667 | NPC305542 |
Remote Similarity | 0.6667 | NPC321428 |
Remote Similarity | 0.6653 | NPC22481 |
Remote Similarity | 0.6653 | NPC476258 |
Remote Similarity | 0.6653 | NPC304837 |
Remote Similarity | 0.6651 | NPC270301 |
Remote Similarity | 0.664 | NPC120513 |
Remote Similarity | 0.6639 | NPC208364 |
Remote Similarity | 0.6638 | NPC231924 |
Remote Similarity | 0.6638 | NPC288110 |
Remote Similarity | 0.6636 | NPC474077 |
Remote Similarity | 0.6634 | NPC204867 |
Remote Similarity | 0.6634 | NPC135006 |
Remote Similarity | 0.6633 | NPC144691 |
Remote Similarity | 0.6626 | NPC477396 |
Remote Similarity | 0.6622 | NPC87413 |
Remote Similarity | 0.6622 | NPC80472 |
Remote Similarity | 0.6622 | NPC146418 |
Remote Similarity | 0.662 | NPC162694 |
Remote Similarity | 0.6616 | NPC119669 |
Remote Similarity | 0.6611 | NPC151171 |
Remote Similarity | 0.6609 | NPC174760 |
Remote Similarity | 0.6608 | NPC298449 |
Remote Similarity | 0.6607 | NPC85661 |
Remote Similarity | 0.6607 | NPC325297 |
Remote Similarity | 0.6606 | NPC112937 |
Remote Similarity | 0.6606 | NPC17677 |
Remote Similarity | 0.6605 | NPC204970 |
Remote Similarity | 0.6604 | NPC150308 |
Remote Similarity | 0.6603 | NPC35680 |
Remote Similarity | 0.6603 | NPC298320 |
Remote Similarity | 0.6601 | NPC153631 |
Remote Similarity | 0.6597 | NPC154922 |
Remote Similarity | 0.6592 | NPC222561 |
Remote Similarity | 0.6591 | NPC232600 |
Remote Similarity | 0.659 | NPC303214 |
Remote Similarity | 0.6589 | NPC166979 |
Remote Similarity | 0.6587 | NPC4669 |
Remote Similarity | 0.6583 | NPC41501 |
Remote Similarity | 0.6581 | NPC473458 |
Remote Similarity | 0.6578 | NPC474366 |
Remote Similarity | 0.6574 | NPC94499 |
Remote Similarity | 0.6573 | NPC18306 |
Remote Similarity | 0.6571 | NPC28368 |
Remote Similarity | 0.6571 | NPC134637 |
Remote Similarity | 0.6569 | NPC189903 |
Remote Similarity | 0.6569 | NPC182907 |
Remote Similarity | 0.6569 | NPC476569 |
Remote Similarity | 0.6567 | NPC115588 |
Remote Similarity | 0.6565 | NPC222046 |
Remote Similarity | 0.6562 | NPC46679 |
Remote Similarity | 0.6561 | NPC288759 |
Remote Similarity | 0.6556 | NPC210296 |
Remote Similarity | 0.6555 | NPC207721 |
Remote Similarity | 0.6553 | NPC471604 |
Remote Similarity | 0.6549 | NPC218303 |
Remote Similarity | 0.6542 | NPC166722 |
Remote Similarity | 0.6535 | NPC146976 |
Remote Similarity | 0.6535 | NPC189661 |
Remote Similarity | 0.6533 | NPC171882 |
Remote Similarity | 0.6533 | NPC471561 |
Remote Similarity | 0.6533 | NPC121510 |
Remote Similarity | 0.6531 | NPC270515 |
Molecular Weight   | 262.06 |
ALogP   | -0.546 |
MLogP   | 2.01 |
XLogP   | 1.419 |
HDA   | 5 |
HBD   | 1 |
Rotatable Bonds   | 4 |
TPSA   | 88.43 |
RO5 Violation   | 0 |