Drug ID:   | NPD4874 |
Drug Name:   | Mk0686 |
Molecular Formula:   | C22H19ClF4N2O4 |
Canonical SMILES:   | COC(=O)c1c(Cl)cccc1c1ccc(c(c1)F)[C@H](N=C(C1(CC1)N=C(C(F)(F)F)O)O)C |
Standard InCHI:   | InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1 |
Standard InCHIKey:   | WZZIQHIQMWJNLU-LLVKDONJSA-N |
Max Developmental Stage:   | Phase 2 |
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 |
---|---|---|
Remote Similarity | 0.6709 | NPC4974 |
Remote Similarity | 0.6627 | NPC471316 |
Remote Similarity | 0.6573 | NPC476750 |
Remote Similarity | 0.6564 | NPC246913 |
Remote Similarity | 0.6557 | NPC227778 |
Remote Similarity | 0.6522 | NPC199738 |
Remote Similarity | 0.6522 | NPC210950 |
Remote Similarity | 0.6484 | NPC476749 |
Remote Similarity | 0.6484 | NPC151030 |
Remote Similarity | 0.6484 | NPC269383 |
Remote Similarity | 0.6429 | NPC471318 |
Remote Similarity | 0.6417 | NPC271958 |
Remote Similarity | 0.6417 | NPC45112 |
Remote Similarity | 0.6417 | NPC263507 |
Remote Similarity | 0.6417 | NPC134413 |
Remote Similarity | 0.6415 | NPC160493 |
Remote Similarity | 0.6413 | NPC49315 |
Remote Similarity | 0.6402 | NPC473247 |
Remote Similarity | 0.6349 | NPC86678 |
Remote Similarity | 0.634 | NPC66208 |
Remote Similarity | 0.6337 | NPC477999 |
Remote Similarity | 0.6309 | NPC324786 |
Remote Similarity | 0.6296 | NPC295664 |
Remote Similarity | 0.6289 | NPC190663 |
Remote Similarity | 0.6275 | NPC319579 |
Remote Similarity | 0.6267 | NPC105899 |
Remote Similarity | 0.6265 | NPC45191 |
Remote Similarity | 0.6258 | NPC153053 |
Remote Similarity | 0.625 | NPC318327 |
Remote Similarity | 0.625 | NPC470274 |
Remote Similarity | 0.625 | NPC85493 |
Remote Similarity | 0.6242 | NPC325651 |
Remote Similarity | 0.6242 | NPC291426 |
Remote Similarity | 0.6234 | NPC321852 |
Remote Similarity | 0.6228 | NPC244866 |
Remote Similarity | 0.6228 | NPC470392 |
Remote Similarity | 0.6196 | NPC47667 |
Remote Similarity | 0.6188 | NPC80150 |
Remote Similarity | 0.6188 | NPC476183 |
Remote Similarity | 0.6186 | NPC327699 |
Remote Similarity | 0.6182 | NPC296712 |
Remote Similarity | 0.6176 | NPC316906 |
Remote Similarity | 0.6169 | NPC260818 |
Remote Similarity | 0.6164 | NPC310467 |
Remote Similarity | 0.6149 | NPC476184 |
Remote Similarity | 0.6149 | NPC476281 |
Remote Similarity | 0.6144 | NPC10251 |
Remote Similarity | 0.6144 | NPC17417 |
Remote Similarity | 0.6135 | NPC285394 |
Remote Similarity | 0.6135 | NPC475691 |
Remote Similarity | 0.6133 | NPC255676 |
Remote Similarity | 0.6129 | NPC270699 |
Remote Similarity | 0.6129 | NPC79496 |
Remote Similarity | 0.6129 | NPC82899 |
Remote Similarity | 0.6122 | NPC306001 |
Remote Similarity | 0.6122 | NPC473300 |
Remote Similarity | 0.6122 | NPC471754 |
Remote Similarity | 0.6122 | NPC475336 |
Remote Similarity | 0.6122 | NPC206211 |
Remote Similarity | 0.6122 | NPC275170 |
Remote Similarity | 0.6122 | NPC471629 |
Remote Similarity | 0.6122 | NPC317882 |
Remote Similarity | 0.6122 | NPC453583 |
Remote Similarity | 0.6122 | NPC473400 |
Remote Similarity | 0.6122 | NPC324251 |
Remote Similarity | 0.6121 | NPC476353 |
Remote Similarity | 0.6115 | NPC221275 |
Remote Similarity | 0.6111 | NPC26285 |
Remote Similarity | 0.6104 | NPC93084 |
Remote Similarity | 0.6104 | NPC251854 |
Remote Similarity | 0.6104 | NPC196246 |
Remote Similarity | 0.6104 | NPC214067 |
Remote Similarity | 0.6104 | NPC216122 |
Remote Similarity | 0.6101 | NPC228318 |
Remote Similarity | 0.6101 | NPC169328 |
Remote Similarity | 0.6093 | NPC31786 |
Remote Similarity | 0.6091 | NPC33372 |
Remote Similarity | 0.6091 | NPC67246 |
Remote Similarity | 0.609 | NPC474584 |
Remote Similarity | 0.609 | NPC128368 |
Remote Similarity | 0.6087 | NPC189116 |
Remote Similarity | 0.6078 | NPC56493 |
Remote Similarity | 0.6076 | NPC197470 |
Remote Similarity | 0.6074 | NPC476278 |
Remote Similarity | 0.6074 | NPC475692 |
Remote Similarity | 0.6074 | NPC35996 |
Remote Similarity | 0.6071 | NPC48909 |
Remote Similarity | 0.6071 | NPC326966 |
Remote Similarity | 0.6071 | NPC30390 |
Remote Similarity | 0.6069 | NPC86087 |
Remote Similarity | 0.6067 | NPC470019 |
Remote Similarity | 0.6065 | NPC305912 |
Remote Similarity | 0.6065 | NPC1082 |
Remote Similarity | 0.6053 | NPC269457 |
Remote Similarity | 0.6053 | NPC211551 |
Remote Similarity | 0.6051 | NPC307651 |
Remote Similarity | 0.6048 | NPC478147 |
Remote Similarity | 0.6045 | NPC132771 |
Remote Similarity | 0.6045 | NPC290404 |
Remote Similarity | 0.604 | NPC12730 |
Remote Similarity | 0.604 | NPC203925 |
Remote Similarity | 0.6037 | NPC476260 |
Remote Similarity | 0.6037 | NPC471466 |
Remote Similarity | 0.6037 | NPC476241 |
Remote Similarity | 0.6037 | NPC85511 |
Remote Similarity | 0.6031 | NPC474498 |
Remote Similarity | 0.6026 | NPC471310 |
Remote Similarity | 0.6025 | NPC319950 |
Remote Similarity | 0.6025 | NPC204784 |
Remote Similarity | 0.6022 | NPC58661 |
Remote Similarity | 0.602 | NPC39528 |
Remote Similarity | 0.6013 | NPC210092 |
Remote Similarity | 0.6013 | NPC186933 |
Remote Similarity | 0.6013 | NPC119271 |
Remote Similarity | 0.6013 | NPC306740 |
Remote Similarity | 0.6012 | NPC142577 |
Remote Similarity | 0.6 | NPC273837 |
Remote Similarity | 0.6 | NPC476125 |
Remote Similarity | 0.6 | NPC45794 |
Remote Similarity | 0.6 | NPC191193 |
Remote Similarity | 0.6 | NPC76453 |
Remote Similarity | 0.6 | NPC215892 |
Remote Similarity | 0.6 | NPC321072 |
Remote Similarity | 0.6 | NPC174099 |
Remote Similarity | 0.6 | NPC242662 |
Remote Similarity | 0.6 | NPC476179 |
Remote Similarity | 0.6 | NPC205946 |
Remote Similarity | 0.6 | NPC42211 |
Remote Similarity | 0.599 | NPC471623 |
Remote Similarity | 0.5989 | NPC56635 |
Remote Similarity | 0.5989 | NPC212699 |
Remote Similarity | 0.5989 | NPC207675 |
Remote Similarity | 0.5988 | NPC478014 |
Remote Similarity | 0.5988 | NPC472413 |
Remote Similarity | 0.5988 | NPC478016 |
Remote Similarity | 0.5988 | NPC478015 |
Remote Similarity | 0.5988 | NPC281104 |
Remote Similarity | 0.5987 | NPC272524 |
Remote Similarity | 0.598 | NPC96730 |
Remote Similarity | 0.5976 | NPC471315 |
Remote Similarity | 0.5976 | NPC472703 |
Remote Similarity | 0.5976 | NPC471314 |
Remote Similarity | 0.5973 | NPC229242 |
Remote Similarity | 0.597 | NPC208553 |
Remote Similarity | 0.597 | NPC471606 |
Remote Similarity | 0.597 | NPC181964 |
Remote Similarity | 0.5966 | NPC182475 |
Remote Similarity | 0.5964 | NPC470765 |
Remote Similarity | 0.5964 | NPC275576 |
Remote Similarity | 0.5962 | NPC474157 |
Remote Similarity | 0.5962 | NPC313981 |
Remote Similarity | 0.5962 | NPC210089 |
Remote Similarity | 0.596 | NPC304873 |
Remote Similarity | 0.596 | NPC318154 |
Remote Similarity | 0.5954 | NPC319645 |
Remote Similarity | 0.5954 | NPC153007 |
Remote Similarity | 0.5948 | NPC209632 |
Remote Similarity | 0.5941 | NPC473558 |
Remote Similarity | 0.5941 | NPC473490 |
Remote Similarity | 0.5941 | NPC313663 |
Remote Similarity | 0.5939 | NPC472704 |
Remote Similarity | 0.5939 | NPC228739 |
Remote Similarity | 0.5938 | NPC158157 |
Remote Similarity | 0.5935 | NPC265407 |
Remote Similarity | 0.5935 | NPC469636 |
Remote Similarity | 0.5935 | NPC83628 |
Remote Similarity | 0.5933 | NPC118343 |
Remote Similarity | 0.5933 | NPC217621 |
Remote Similarity | 0.5928 | NPC470753 |
Remote Similarity | 0.5928 | NPC169913 |
Remote Similarity | 0.5928 | NPC473220 |
Remote Similarity | 0.5924 | NPC158282 |
Remote Similarity | 0.5924 | NPC329011 |
Remote Similarity | 0.5924 | NPC473367 |
Remote Similarity | 0.5921 | NPC60679 |
Remote Similarity | 0.5921 | NPC301943 |
Remote Similarity | 0.5921 | NPC164859 |
Remote Similarity | 0.5921 | NPC474365 |
Remote Similarity | 0.5921 | NPC471317 |
Remote Similarity | 0.592 | NPC239770 |
Remote Similarity | 0.5915 | NPC167323 |
Remote Similarity | 0.5915 | NPC474862 |
Remote Similarity | 0.5915 | NPC27581 |
Remote Similarity | 0.5915 | NPC269923 |
Remote Similarity | 0.5912 | NPC474685 |
Remote Similarity | 0.5912 | NPC228936 |
Remote Similarity | 0.5909 | NPC327481 |
Remote Similarity | 0.5909 | NPC473922 |
Remote Similarity | 0.5906 | NPC64897 |
Remote Similarity | 0.5906 | NPC266425 |
Remote Similarity | 0.5906 | NPC90693 |
Remote Similarity | 0.5899 | NPC17760 |
Remote Similarity | 0.5899 | NPC259678 |
Remote Similarity | 0.5896 | NPC77992 |
Remote Similarity | 0.5894 | NPC70624 |
Remote Similarity | 0.5893 | NPC51448 |
Remote Similarity | 0.5893 | NPC116057 |
Remote Similarity | 0.5893 | NPC115797 |
Remote Similarity | 0.589 | NPC988 |
Remote Similarity | 0.589 | NPC473243 |
Molecular Weight   | 486.10 |
ALogP   | 2.2852 |
MLogP   | 2.67 |
XLogP   | 5.679 |
HDA   | 6 |
HBD   | 2 |
Rotatable Bonds   | 17 |
TPSA   | 91.48 |
RO5 Violation   | 1 |