Drug ID:   | NPD1553 |
Drug Name:   | Lumiracoxib |
Molecular Formula:   | C15H13ClFNO2 |
Canonical SMILES:   | OC(=O)Cc1cc(C)ccc1Nc1c(F)cccc1Cl |
Standard InCHI:   | InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20) |
Standard InCHIKey:   | KHPKQFYUPIUARC-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 |
---|---|---|
Intermediate Similarity | 0.7013 | NPC253476 |
Remote Similarity | 0.6987 | NPC287358 |
Remote Similarity | 0.6798 | NPC470317 |
Remote Similarity | 0.6792 | NPC242933 |
Remote Similarity | 0.675 | NPC43477 |
Remote Similarity | 0.6733 | NPC268534 |
Remote Similarity | 0.671 | NPC314098 |
Remote Similarity | 0.6667 | NPC300596 |
Remote Similarity | 0.6667 | NPC471742 |
Remote Similarity | 0.6667 | NPC237649 |
Remote Similarity | 0.6646 | NPC173295 |
Remote Similarity | 0.6605 | NPC472241 |
Remote Similarity | 0.6601 | NPC474926 |
Remote Similarity | 0.6597 | NPC313981 |
Remote Similarity | 0.6577 | NPC229353 |
Remote Similarity | 0.6576 | NPC313293 |
Remote Similarity | 0.6552 | NPC182131 |
Remote Similarity | 0.6545 | NPC146370 |
Remote Similarity | 0.6538 | NPC194562 |
Remote Similarity | 0.6538 | NPC316141 |
Remote Similarity | 0.6536 | NPC317758 |
Remote Similarity | 0.6531 | NPC204303 |
Remote Similarity | 0.649 | NPC279385 |
Remote Similarity | 0.649 | NPC150323 |
Remote Similarity | 0.649 | NPC130931 |
Remote Similarity | 0.649 | NPC179605 |
Remote Similarity | 0.6485 | NPC472242 |
Remote Similarity | 0.6481 | NPC472243 |
Remote Similarity | 0.6481 | NPC315051 |
Remote Similarity | 0.6447 | NPC103292 |
Remote Similarity | 0.6433 | NPC477432 |
Remote Similarity | 0.6416 | NPC201424 |
Remote Similarity | 0.641 | NPC72473 |
Remote Similarity | 0.641 | NPC58827 |
Remote Similarity | 0.641 | NPC307437 |
Remote Similarity | 0.6387 | NPC472244 |
Remote Similarity | 0.6387 | NPC470343 |
Remote Similarity | 0.6387 | NPC205946 |
Remote Similarity | 0.6369 | NPC209389 |
Remote Similarity | 0.6358 | NPC36495 |
Remote Similarity | 0.6348 | NPC318183 |
Remote Similarity | 0.6333 | NPC471743 |
Remote Similarity | 0.6324 | NPC160381 |
Remote Similarity | 0.6323 | NPC192533 |
Remote Similarity | 0.6323 | NPC226794 |
Remote Similarity | 0.6316 | NPC226143 |
Remote Similarity | 0.6298 | NPC111275 |
Remote Similarity | 0.6292 | NPC471778 |
Remote Similarity | 0.6286 | NPC282339 |
Remote Similarity | 0.6286 | NPC99632 |
Remote Similarity | 0.6264 | NPC213468 |
Remote Similarity | 0.6258 | NPC254698 |
Remote Similarity | 0.6242 | NPC322433 |
Remote Similarity | 0.6234 | NPC257490 |
Remote Similarity | 0.6229 | NPC309531 |
Remote Similarity | 0.6229 | NPC472102 |
Remote Similarity | 0.6226 | NPC314431 |
Remote Similarity | 0.6222 | NPC177261 |
Remote Similarity | 0.6207 | NPC123241 |
Remote Similarity | 0.6207 | NPC61013 |
Remote Similarity | 0.62 | NPC205652 |
Remote Similarity | 0.6194 | NPC39818 |
Remote Similarity | 0.6193 | NPC176983 |
Remote Similarity | 0.6193 | NPC286871 |
Remote Similarity | 0.619 | NPC472844 |
Remote Similarity | 0.6167 | NPC292265 |
Remote Similarity | 0.6164 | NPC122235 |
Remote Similarity | 0.6162 | NPC477999 |
Remote Similarity | 0.6154 | NPC478039 |
Remote Similarity | 0.6154 | NPC84347 |
Remote Similarity | 0.6145 | NPC78020 |
Remote Similarity | 0.6144 | NPC228515 |
Remote Similarity | 0.614 | NPC144691 |
Remote Similarity | 0.6136 | NPC248117 |
Remote Similarity | 0.6136 | NPC27904 |
Remote Similarity | 0.6136 | NPC322644 |
Remote Similarity | 0.6125 | NPC472245 |
Remote Similarity | 0.6122 | NPC302790 |
Remote Similarity | 0.6121 | NPC181527 |
Remote Similarity | 0.6108 | NPC192270 |
Remote Similarity | 0.6104 | NPC177684 |
Remote Similarity | 0.6104 | NPC291962 |
Remote Similarity | 0.6102 | NPC293458 |
Remote Similarity | 0.6098 | NPC325599 |
Remote Similarity | 0.6096 | NPC52262 |
Remote Similarity | 0.6096 | NPC49184 |
Remote Similarity | 0.6094 | NPC85066 |
Remote Similarity | 0.6094 | NPC181502 |
Remote Similarity | 0.6093 | NPC470550 |
Remote Similarity | 0.6087 | NPC219336 |
Remote Similarity | 0.6087 | NPC55772 |
Remote Similarity | 0.608 | NPC193410 |
Remote Similarity | 0.6077 | NPC469671 |
Remote Similarity | 0.6077 | NPC126676 |
Remote Similarity | 0.6075 | NPC471785 |
Remote Similarity | 0.6074 | NPC313352 |
Remote Similarity | 0.6067 | NPC204867 |
Remote Similarity | 0.6067 | NPC189116 |
Remote Similarity | 0.6066 | NPC267885 |
Remote Similarity | 0.6065 | NPC112373 |
Remote Similarity | 0.6065 | NPC258531 |
Remote Similarity | 0.6065 | NPC161956 |
Remote Similarity | 0.6061 | NPC159722 |
Remote Similarity | 0.6056 | NPC470971 |
Remote Similarity | 0.6054 | NPC172170 |
Remote Similarity | 0.6054 | NPC79618 |
Remote Similarity | 0.6054 | NPC434 |
Remote Similarity | 0.6053 | NPC329858 |
Remote Similarity | 0.6053 | NPC83111 |
Remote Similarity | 0.6053 | NPC5630 |
Remote Similarity | 0.6053 | NPC474059 |
Remote Similarity | 0.6049 | NPC476687 |
Remote Similarity | 0.6049 | NPC476685 |
Remote Similarity | 0.6049 | NPC476689 |
Remote Similarity | 0.6048 | NPC2823 |
Remote Similarity | 0.6045 | NPC315368 |
Remote Similarity | 0.6043 | NPC97584 |
Remote Similarity | 0.6036 | NPC130797 |
Remote Similarity | 0.6033 | NPC217372 |
Remote Similarity | 0.6033 | NPC15573 |
Remote Similarity | 0.6033 | NPC183662 |
Remote Similarity | 0.6032 | NPC181928 |
Remote Similarity | 0.6031 | NPC90967 |
Remote Similarity | 0.6027 | NPC67043 |
Remote Similarity | 0.6027 | NPC476198 |
Remote Similarity | 0.6026 | NPC57051 |
Remote Similarity | 0.6024 | NPC319645 |
Remote Similarity | 0.6024 | NPC83214 |
Remote Similarity | 0.6023 | NPC477887 |
Remote Similarity | 0.6022 | NPC472118 |
Remote Similarity | 0.6013 | NPC147957 |
Remote Similarity | 0.6012 | NPC314223 |
Remote Similarity | 0.6011 | NPC110500 |
Remote Similarity | 0.6011 | NPC149155 |
Remote Similarity | 0.6011 | NPC476231 |
Remote Similarity | 0.6011 | NPC199737 |
Remote Similarity | 0.6011 | NPC303225 |
Remote Similarity | 0.6011 | NPC203468 |
Remote Similarity | 0.6 | NPC248041 |
Remote Similarity | 0.6 | NPC178681 |
Remote Similarity | 0.6 | NPC472114 |
Remote Similarity | 0.6 | NPC278887 |
Remote Similarity | 0.6 | NPC126709 |
Remote Similarity | 0.6 | NPC472115 |
Remote Similarity | 0.5989 | NPC477159 |
Remote Similarity | 0.5989 | NPC6982 |
Remote Similarity | 0.5989 | NPC243058 |
Remote Similarity | 0.5988 | NPC316746 |
Remote Similarity | 0.5987 | NPC471318 |
Remote Similarity | 0.5985 | NPC111233 |
Remote Similarity | 0.5985 | NPC329064 |
Remote Similarity | 0.5979 | NPC303214 |
Remote Similarity | 0.5979 | NPC315555 |
Remote Similarity | 0.5978 | NPC288785 |
Remote Similarity | 0.597 | NPC39679 |
Remote Similarity | 0.5969 | NPC473298 |
Remote Similarity | 0.5968 | NPC475685 |
Remote Similarity | 0.5966 | NPC29285 |
Remote Similarity | 0.5965 | NPC259678 |
Remote Similarity | 0.5965 | NPC264589 |
Remote Similarity | 0.5963 | NPC150863 |
Remote Similarity | 0.5962 | NPC317564 |
Remote Similarity | 0.5962 | NPC316582 |
Remote Similarity | 0.5959 | NPC45850 |
Remote Similarity | 0.5957 | NPC172925 |
Remote Similarity | 0.5955 | NPC225319 |
Remote Similarity | 0.5947 | NPC278434 |
Remote Similarity | 0.5946 | NPC219848 |
Remote Similarity | 0.5946 | NPC293472 |
Remote Similarity | 0.5946 | NPC186669 |
Remote Similarity | 0.5941 | NPC190945 |
Remote Similarity | 0.5941 | NPC311330 |
Remote Similarity | 0.5938 | NPC203628 |
Remote Similarity | 0.5938 | NPC314278 |
Remote Similarity | 0.5932 | NPC153694 |
Remote Similarity | 0.5932 | NPC76982 |
Remote Similarity | 0.5932 | NPC211525 |
Remote Similarity | 0.5928 | NPC276517 |
Remote Similarity | 0.5926 | NPC280807 |
Remote Similarity | 0.5922 | NPC472121 |
Remote Similarity | 0.5922 | NPC16667 |
Remote Similarity | 0.5916 | NPC477998 |
Remote Similarity | 0.5914 | NPC99043 |
Remote Similarity | 0.5914 | NPC321211 |
Remote Similarity | 0.5914 | NPC218594 |
Remote Similarity | 0.5914 | NPC256268 |
Remote Similarity | 0.5914 | NPC283219 |
Remote Similarity | 0.5902 | NPC474814 |
Remote Similarity | 0.5902 | NPC112336 |
Remote Similarity | 0.5899 | NPC63210 |
Remote Similarity | 0.5899 | NPC310403 |
Remote Similarity | 0.5899 | NPC243673 |
Remote Similarity | 0.5899 | NPC148468 |
Remote Similarity | 0.5899 | NPC263709 |
Remote Similarity | 0.5899 | NPC97380 |
Remote Similarity | 0.5896 | NPC242000 |
Remote Similarity | 0.5895 | NPC90415 |
Remote Similarity | 0.5895 | NPC62749 |
Remote Similarity | 0.5895 | NPC99428 |
Remote Similarity | 0.5895 | NPC194040 |
TTD   | DAP000970 |
DrugBank   | DB01283 |
ChEMBL   | CHEMBL404108 |
IUPHAR/BPS   | 2897 |
PharmaGKB   | PA164769031 |
KEGG Drug   | D03714 |
PubChem CID   | 151166 |
ChEBI   | 73044 |
CAS Number   | 220991-20-8 |
Molecular Weight   | 293.06 |
ALogP   | 1.2406 |
MLogP   | 2.56 |
XLogP   | 4.306 |
HDA   | 3 |
HBD   | 2 |
Rotatable Bonds   | 8 |
TPSA   | 49.33 |
RO5 Violation   | 0 |