Drug ID:   | NPD2365 |
Drug Name:   | Indoprofen |
Molecular Formula:   | C17H15NO3 |
Canonical SMILES:   | OC(=O)C(c1ccc(cc1)N1Cc2c(C1=O)cccc2)C |
Standard InCHI:   | InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21) |
Standard InCHIKey:   | RJMIEHBSYVWVIN-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 | 0.8069 | NPC315051 |
Intermediate Similarity | 0.7887 | NPC314098 |
Intermediate Similarity | 0.7786 | NPC472244 |
Intermediate Similarity | 0.7786 | NPC470343 |
Intermediate Similarity | 0.7609 | NPC226143 |
Intermediate Similarity | 0.7584 | NPC242933 |
Intermediate Similarity | 0.7569 | NPC314431 |
Intermediate Similarity | 0.7467 | NPC472243 |
Intermediate Similarity | 0.7455 | NPC470548 |
Intermediate Similarity | 0.7438 | NPC201424 |
Intermediate Similarity | 0.7438 | NPC315368 |
Intermediate Similarity | 0.7403 | NPC478039 |
Intermediate Similarity | 0.7365 | NPC253476 |
Intermediate Similarity | 0.7361 | NPC322433 |
Intermediate Similarity | 0.7333 | NPC355 |
Intermediate Similarity | 0.7267 | NPC36495 |
Intermediate Similarity | 0.726 | NPC150863 |
Intermediate Similarity | 0.7255 | NPC472241 |
Intermediate Similarity | 0.7254 | NPC257490 |
Intermediate Similarity | 0.7239 | NPC55529 |
Intermediate Similarity | 0.7239 | NPC189116 |
Intermediate Similarity | 0.7219 | NPC287358 |
Intermediate Similarity | 0.7211 | NPC280807 |
Intermediate Similarity | 0.7211 | NPC472245 |
Intermediate Similarity | 0.719 | NPC43477 |
Intermediate Similarity | 0.7186 | NPC177261 |
Intermediate Similarity | 0.7174 | NPC57051 |
Intermediate Similarity | 0.7172 | NPC205946 |
Intermediate Similarity | 0.716 | NPC474081 |
Intermediate Similarity | 0.7143 | NPC475594 |
Intermediate Similarity | 0.7117 | NPC472102 |
Intermediate Similarity | 0.7117 | NPC309531 |
Intermediate Similarity | 0.7117 | NPC474058 |
Intermediate Similarity | 0.7115 | NPC472242 |
Intermediate Similarity | 0.7113 | NPC291962 |
Intermediate Similarity | 0.7113 | NPC177684 |
Intermediate Similarity | 0.711 | NPC322621 |
Intermediate Similarity | 0.7107 | NPC154602 |
Intermediate Similarity | 0.7105 | NPC122553 |
Intermediate Similarity | 0.7103 | NPC192533 |
Intermediate Similarity | 0.7101 | NPC475607 |
Intermediate Similarity | 0.7089 | NPC300596 |
Intermediate Similarity | 0.7089 | NPC237649 |
Intermediate Similarity | 0.7073 | NPC472120 |
Intermediate Similarity | 0.7073 | NPC199737 |
Intermediate Similarity | 0.7073 | NPC472117 |
Intermediate Similarity | 0.7073 | NPC472101 |
Intermediate Similarity | 0.7063 | NPC161956 |
Intermediate Similarity | 0.7063 | NPC258531 |
Intermediate Similarity | 0.7063 | NPC112373 |
Intermediate Similarity | 0.7063 | NPC285381 |
Intermediate Similarity | 0.7051 | NPC314186 |
Intermediate Similarity | 0.7044 | NPC144691 |
Intermediate Similarity | 0.7037 | NPC29285 |
Intermediate Similarity | 0.7034 | NPC254698 |
Intermediate Similarity | 0.7029 | NPC473815 |
Intermediate Similarity | 0.7025 | NPC212799 |
Intermediate Similarity | 0.702 | NPC162417 |
Intermediate Similarity | 0.702 | NPC316104 |
Intermediate Similarity | 0.7018 | NPC475761 |
Intermediate Similarity | 0.7012 | NPC225319 |
Intermediate Similarity | 0.7 | NPC473962 |
Remote Similarity | 0.6994 | NPC470317 |
Remote Similarity | 0.6988 | NPC472106 |
Remote Similarity | 0.6988 | NPC471124 |
Remote Similarity | 0.6974 | NPC173295 |
Remote Similarity | 0.6968 | NPC471164 |
Remote Similarity | 0.6964 | NPC472118 |
Remote Similarity | 0.6951 | NPC193410 |
Remote Similarity | 0.6951 | NPC471122 |
Remote Similarity | 0.6948 | NPC315224 |
Remote Similarity | 0.6948 | NPC469560 |
Remote Similarity | 0.6944 | NPC150323 |
Remote Similarity | 0.6923 | NPC318183 |
Remote Similarity | 0.6923 | NPC229353 |
Remote Similarity | 0.6919 | NPC474041 |
Remote Similarity | 0.6913 | NPC209389 |
Remote Similarity | 0.6909 | NPC248117 |
Remote Similarity | 0.6909 | NPC27904 |
Remote Similarity | 0.6903 | NPC130251 |
Remote Similarity | 0.689 | NPC104345 |
Remote Similarity | 0.689 | NPC153694 |
Remote Similarity | 0.689 | NPC211525 |
Remote Similarity | 0.689 | NPC113946 |
Remote Similarity | 0.6886 | NPC471130 |
Remote Similarity | 0.6879 | NPC308197 |
Remote Similarity | 0.6875 | NPC242000 |
Remote Similarity | 0.6867 | NPC476231 |
Remote Similarity | 0.6867 | NPC187231 |
Remote Similarity | 0.6867 | NPC88970 |
Remote Similarity | 0.6863 | NPC300299 |
Remote Similarity | 0.6859 | NPC301760 |
Remote Similarity | 0.6849 | NPC39818 |
Remote Similarity | 0.6848 | NPC148468 |
Remote Similarity | 0.6848 | NPC310403 |
Remote Similarity | 0.6848 | NPC97380 |
Remote Similarity | 0.6848 | NPC243673 |
Remote Similarity | 0.6848 | NPC63210 |
Remote Similarity | 0.6848 | NPC263709 |
Remote Similarity | 0.6845 | NPC214960 |
Remote Similarity | 0.6845 | NPC279527 |
Remote Similarity | 0.6845 | NPC472114 |
Remote Similarity | 0.6845 | NPC182131 |
Remote Similarity | 0.6845 | NPC472115 |
Remote Similarity | 0.6839 | NPC83214 |
Remote Similarity | 0.6839 | NPC319645 |
Remote Similarity | 0.6824 | NPC474814 |
Remote Similarity | 0.6824 | NPC112336 |
Remote Similarity | 0.6824 | NPC79698 |
Remote Similarity | 0.6821 | NPC321211 |
Remote Similarity | 0.6821 | NPC475094 |
Remote Similarity | 0.6818 | NPC471123 |
Remote Similarity | 0.6813 | NPC472541 |
Remote Similarity | 0.6813 | NPC472542 |
Remote Similarity | 0.6805 | NPC473484 |
Remote Similarity | 0.6802 | NPC129624 |
Remote Similarity | 0.6795 | NPC207554 |
Remote Similarity | 0.679 | NPC243756 |
Remote Similarity | 0.679 | NPC314223 |
Remote Similarity | 0.6788 | NPC123241 |
Remote Similarity | 0.6788 | NPC61013 |
Remote Similarity | 0.6782 | NPC475685 |
Remote Similarity | 0.6782 | NPC11149 |
Remote Similarity | 0.6779 | NPC250476 |
Remote Similarity | 0.6776 | NPC207428 |
Remote Similarity | 0.6772 | NPC478040 |
Remote Similarity | 0.6766 | NPC282339 |
Remote Similarity | 0.6766 | NPC99632 |
Remote Similarity | 0.6766 | NPC286871 |
Remote Similarity | 0.6766 | NPC176983 |
Remote Similarity | 0.6763 | NPC14849 |
Remote Similarity | 0.6761 | NPC471742 |
Remote Similarity | 0.676 | NPC313293 |
Remote Similarity | 0.6758 | NPC472539 |
Remote Similarity | 0.6758 | NPC472540 |
Remote Similarity | 0.6758 | NPC470787 |
Remote Similarity | 0.6757 | NPC471944 |
Remote Similarity | 0.6757 | NPC317758 |
Remote Similarity | 0.6752 | NPC471574 |
Remote Similarity | 0.6748 | NPC122106 |
Remote Similarity | 0.6735 | NPC213126 |
Remote Similarity | 0.6735 | NPC169485 |
Remote Similarity | 0.6735 | NPC291027 |
Remote Similarity | 0.6735 | NPC84281 |
Remote Similarity | 0.6735 | NPC268534 |
Remote Similarity | 0.6735 | NPC317474 |
Remote Similarity | 0.6733 | NPC72473 |
Remote Similarity | 0.6733 | NPC307437 |
Remote Similarity | 0.6733 | NPC58827 |
Remote Similarity | 0.6728 | NPC473329 |
Remote Similarity | 0.6726 | NPC204867 |
Remote Similarity | 0.6724 | NPC99043 |
Remote Similarity | 0.6724 | NPC218594 |
Remote Similarity | 0.672 | NPC100573 |
Remote Similarity | 0.672 | NPC207873 |
Remote Similarity | 0.6715 | NPC476198 |
Remote Similarity | 0.6712 | NPC179605 |
Remote Similarity | 0.6712 | NPC130931 |
Remote Similarity | 0.6712 | NPC279385 |
Remote Similarity | 0.6711 | NPC316746 |
Remote Similarity | 0.6711 | NPC474926 |
Remote Similarity | 0.6711 | NPC231382 |
Remote Similarity | 0.6707 | NPC73644 |
Remote Similarity | 0.6707 | NPC143457 |
Remote Similarity | 0.6707 | NPC478076 |
Remote Similarity | 0.6706 | NPC224970 |
Remote Similarity | 0.6706 | NPC63047 |
Remote Similarity | 0.6706 | NPC223595 |
Remote Similarity | 0.6706 | NPC167724 |
Remote Similarity | 0.6706 | NPC475248 |
Remote Similarity | 0.6705 | NPC475427 |
Remote Similarity | 0.6687 | NPC66936 |
Remote Similarity | 0.6686 | NPC52059 |
Remote Similarity | 0.6686 | NPC96901 |
Remote Similarity | 0.6686 | NPC470069 |
Remote Similarity | 0.6685 | NPC71124 |
Remote Similarity | 0.6684 | NPC207971 |
Remote Similarity | 0.6667 | NPC253667 |
Remote Similarity | 0.6667 | NPC35510 |
Remote Similarity | 0.6667 | NPC314278 |
Remote Similarity | 0.6667 | NPC103292 |
Remote Similarity | 0.6667 | NPC293458 |
Remote Similarity | 0.6667 | NPC161827 |
Remote Similarity | 0.6667 | NPC471778 |
Remote Similarity | 0.6647 | NPC248862 |
Remote Similarity | 0.6647 | NPC328611 |
Remote Similarity | 0.6647 | NPC13367 |
Remote Similarity | 0.6646 | NPC470579 |
Remote Similarity | 0.6646 | NPC324445 |
Remote Similarity | 0.6646 | NPC470301 |
Remote Similarity | 0.6646 | NPC22082 |
Remote Similarity | 0.6646 | NPC186284 |
Remote Similarity | 0.6645 | NPC475598 |
Remote Similarity | 0.6645 | NPC474855 |
Remote Similarity | 0.6645 | NPC118099 |
Remote Similarity | 0.6645 | NPC293377 |
Remote Similarity | 0.6645 | NPC79465 |
Remote Similarity | 0.6645 | NPC273907 |
Remote Similarity | 0.6645 | NPC76785 |
Remote Similarity | 0.6645 | NPC151706 |
Molecular Weight   | 281.11 |
ALogP   | -0.5682 |
MLogP   | 2.89 |
XLogP   | 3.72 |
HDA   | 4 |
HBD   | 1 |
Rotatable Bonds   | 5 |
TPSA   | 57.61 |
RO5 Violation   | 0 |