Drug ID:   | NPD3863 |
Drug Name:   | |
Molecular Formula:   | C20H20FNO4 |
Canonical SMILES:   | Fc1ccc(cc1)C(=O)N[C@H]1c2cc(ccc2OC([C@@H]1O)(C)C)C(=O)C |
Standard InCHI:   | InChI=1S/C20H20FNO4/c1-11(23)13-6-9-16-15(10-13)17(18(24)20(2,3)26-16)22-19(25)12-4-7-14(21)8-5-12/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m0/s1 |
Standard InCHIKey:   | RCLXAPJEFHPYEG-ZWKOTPCHSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
Max Developmental Stage Source:   | TTD |
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 | 0.7716 | NPC257266 |
Intermediate Similarity | 0.7677 | NPC257728 |
Intermediate Similarity | 0.7654 | NPC469479 |
Intermediate Similarity | 0.7638 | NPC153365 |
Intermediate Similarity | 0.7581 | NPC327005 |
Intermediate Similarity | 0.7569 | NPC469505 |
Intermediate Similarity | 0.746 | NPC235194 |
Intermediate Similarity | 0.7425 | NPC266425 |
Intermediate Similarity | 0.7396 | NPC283207 |
Intermediate Similarity | 0.7341 | NPC184053 |
Intermediate Similarity | 0.734 | NPC222524 |
Intermediate Similarity | 0.7318 | NPC244577 |
Intermediate Similarity | 0.7318 | NPC472422 |
Intermediate Similarity | 0.7318 | NPC263384 |
Intermediate Similarity | 0.7318 | NPC472420 |
Intermediate Similarity | 0.7318 | NPC471676 |
Intermediate Similarity | 0.7308 | NPC158900 |
Intermediate Similarity | 0.7302 | NPC121400 |
Intermediate Similarity | 0.7273 | NPC129578 |
Intermediate Similarity | 0.7268 | NPC153631 |
Intermediate Similarity | 0.726 | NPC82056 |
Intermediate Similarity | 0.7246 | NPC38964 |
Intermediate Similarity | 0.7245 | NPC469816 |
Intermediate Similarity | 0.7245 | NPC469815 |
Intermediate Similarity | 0.7238 | NPC223701 |
Intermediate Similarity | 0.7238 | NPC472583 |
Intermediate Similarity | 0.7238 | NPC7989 |
Intermediate Similarity | 0.7225 | NPC204546 |
Intermediate Similarity | 0.7222 | NPC471677 |
Intermediate Similarity | 0.7198 | NPC477530 |
Intermediate Similarity | 0.7198 | NPC477958 |
Intermediate Similarity | 0.7191 | NPC14875 |
Intermediate Similarity | 0.7182 | NPC475790 |
Intermediate Similarity | 0.7182 | NPC473996 |
Intermediate Similarity | 0.7182 | NPC243171 |
Intermediate Similarity | 0.7182 | NPC35567 |
Intermediate Similarity | 0.7182 | NPC171651 |
Intermediate Similarity | 0.7175 | NPC474044 |
Intermediate Similarity | 0.7172 | NPC24228 |
Intermediate Similarity | 0.7159 | NPC17760 |
Intermediate Similarity | 0.7151 | NPC231163 |
Intermediate Similarity | 0.7151 | NPC318591 |
Intermediate Similarity | 0.7143 | NPC469405 |
Intermediate Similarity | 0.7143 | NPC293286 |
Intermediate Similarity | 0.7136 | NPC315351 |
Intermediate Similarity | 0.7136 | NPC316412 |
Intermediate Similarity | 0.7135 | NPC474302 |
Intermediate Similarity | 0.7135 | NPC473562 |
Intermediate Similarity | 0.7128 | NPC469437 |
Intermediate Similarity | 0.7127 | NPC474772 |
Intermediate Similarity | 0.7127 | NPC474744 |
Intermediate Similarity | 0.7127 | NPC472580 |
Intermediate Similarity | 0.7127 | NPC254412 |
Intermediate Similarity | 0.7127 | NPC472636 |
Intermediate Similarity | 0.7127 | NPC262039 |
Intermediate Similarity | 0.7127 | NPC278476 |
Intermediate Similarity | 0.7127 | NPC319910 |
Intermediate Similarity | 0.7127 | NPC262038 |
Intermediate Similarity | 0.7127 | NPC472423 |
Intermediate Similarity | 0.7127 | NPC474021 |
Intermediate Similarity | 0.7127 | NPC474023 |
Intermediate Similarity | 0.7121 | NPC125924 |
Intermediate Similarity | 0.7121 | NPC477258 |
Intermediate Similarity | 0.712 | NPC309692 |
Intermediate Similarity | 0.712 | NPC135006 |
Intermediate Similarity | 0.7114 | NPC316164 |
Intermediate Similarity | 0.7111 | NPC472628 |
Intermediate Similarity | 0.7111 | NPC89442 |
Intermediate Similarity | 0.7108 | NPC141739 |
Intermediate Similarity | 0.7108 | NPC136112 |
Intermediate Similarity | 0.7108 | NPC320242 |
Intermediate Similarity | 0.7107 | NPC94499 |
Intermediate Similarity | 0.7104 | NPC304207 |
Intermediate Similarity | 0.7104 | NPC48579 |
Intermediate Similarity | 0.7104 | NPC217706 |
Intermediate Similarity | 0.7104 | NPC207809 |
Intermediate Similarity | 0.7104 | NPC470681 |
Intermediate Similarity | 0.7104 | NPC259710 |
Intermediate Similarity | 0.7095 | NPC472627 |
Intermediate Similarity | 0.709 | NPC227683 |
Intermediate Similarity | 0.7088 | NPC150123 |
Intermediate Similarity | 0.7088 | NPC216035 |
Intermediate Similarity | 0.7088 | NPC244583 |
Intermediate Similarity | 0.7088 | NPC31627 |
Intermediate Similarity | 0.7088 | NPC285623 |
Intermediate Similarity | 0.7088 | NPC138288 |
Intermediate Similarity | 0.7088 | NPC476238 |
Intermediate Similarity | 0.7088 | NPC56232 |
Intermediate Similarity | 0.7088 | NPC217149 |
Intermediate Similarity | 0.7088 | NPC327269 |
Intermediate Similarity | 0.7088 | NPC161881 |
Intermediate Similarity | 0.7088 | NPC477957 |
Intermediate Similarity | 0.7088 | NPC10807 |
Intermediate Similarity | 0.7087 | NPC197125 |
Intermediate Similarity | 0.7079 | NPC124780 |
Intermediate Similarity | 0.7079 | NPC87486 |
Intermediate Similarity | 0.7077 | NPC329790 |
Intermediate Similarity | 0.7077 | NPC162694 |
Intermediate Similarity | 0.7077 | NPC169387 |
Intermediate Similarity | 0.7077 | NPC477259 |
Intermediate Similarity | 0.7072 | NPC105136 |
Intermediate Similarity | 0.7072 | NPC472421 |
Intermediate Similarity | 0.7067 | NPC217903 |
Intermediate Similarity | 0.7065 | NPC261012 |
Intermediate Similarity | 0.7065 | NPC215917 |
Intermediate Similarity | 0.7065 | NPC20530 |
Intermediate Similarity | 0.7065 | NPC10754 |
Intermediate Similarity | 0.7065 | NPC78492 |
Intermediate Similarity | 0.7065 | NPC314738 |
Intermediate Similarity | 0.7065 | NPC208152 |
Intermediate Similarity | 0.7065 | NPC109403 |
Intermediate Similarity | 0.705 | NPC83019 |
Intermediate Similarity | 0.7049 | NPC248793 |
Intermediate Similarity | 0.7049 | NPC180301 |
Intermediate Similarity | 0.7049 | NPC88983 |
Intermediate Similarity | 0.7048 | NPC314914 |
Intermediate Similarity | 0.7048 | NPC328856 |
Intermediate Similarity | 0.7048 | NPC478047 |
Intermediate Similarity | 0.7048 | NPC180210 |
Intermediate Similarity | 0.7048 | NPC478046 |
Intermediate Similarity | 0.7048 | NPC321226 |
Intermediate Similarity | 0.7043 | NPC471976 |
Intermediate Similarity | 0.7041 | NPC208890 |
Intermediate Similarity | 0.7039 | NPC316769 |
Intermediate Similarity | 0.7039 | NPC472629 |
Intermediate Similarity | 0.7033 | NPC209846 |
Intermediate Similarity | 0.7033 | NPC477564 |
Intermediate Similarity | 0.7033 | NPC477897 |
Intermediate Similarity | 0.7033 | NPC471675 |
Intermediate Similarity | 0.7033 | NPC2295 |
Intermediate Similarity | 0.7033 | NPC289774 |
Intermediate Similarity | 0.7033 | NPC328740 |
Intermediate Similarity | 0.7024 | NPC157958 |
Intermediate Similarity | 0.7024 | NPC314596 |
Intermediate Similarity | 0.7019 | NPC116178 |
Intermediate Similarity | 0.7017 | NPC104172 |
Intermediate Similarity | 0.7017 | NPC119669 |
Intermediate Similarity | 0.7017 | NPC88886 |
Intermediate Similarity | 0.7014 | NPC316368 |
Intermediate Similarity | 0.7014 | NPC284236 |
Intermediate Similarity | 0.7011 | NPC111341 |
Intermediate Similarity | 0.7011 | NPC304745 |
Intermediate Similarity | 0.7011 | NPC160747 |
Intermediate Similarity | 0.701 | NPC315542 |
Intermediate Similarity | 0.7005 | NPC35345 |
Intermediate Similarity | 0.7005 | NPC3629 |
Intermediate Similarity | 0.7 | NPC85773 |
Intermediate Similarity | 0.7 | NPC204580 |
Intermediate Similarity | 0.7 | NPC473133 |
Intermediate Similarity | 0.7 | NPC478048 |
Intermediate Similarity | 0.7 | NPC470670 |
Intermediate Similarity | 0.7 | NPC91902 |
Intermediate Similarity | 0.7 | NPC51070 |
Intermediate Similarity | 0.7 | NPC67978 |
Intermediate Similarity | 0.7 | NPC222298 |
Intermediate Similarity | 0.7 | NPC47388 |
Intermediate Similarity | 0.7 | NPC303581 |
Remote Similarity | 0.6995 | NPC256141 |
Remote Similarity | 0.6995 | NPC99723 |
Remote Similarity | 0.6995 | NPC210597 |
Remote Similarity | 0.6985 | NPC264938 |
Remote Similarity | 0.6983 | NPC209040 |
Remote Similarity | 0.6983 | NPC470890 |
Remote Similarity | 0.6982 | NPC283079 |
Remote Similarity | 0.6979 | NPC35680 |
Remote Similarity | 0.6978 | NPC177308 |
Remote Similarity | 0.6978 | NPC124478 |
Remote Similarity | 0.6978 | NPC61258 |
Remote Similarity | 0.6976 | NPC314946 |
Remote Similarity | 0.6976 | NPC126211 |
Remote Similarity | 0.6968 | NPC474034 |
Remote Similarity | 0.6968 | NPC474033 |
Remote Similarity | 0.6968 | NPC195392 |
Remote Similarity | 0.6966 | NPC147145 |
Remote Similarity | 0.6961 | NPC10097 |
Remote Similarity | 0.6959 | NPC97870 |
Remote Similarity | 0.6959 | NPC307123 |
Remote Similarity | 0.6959 | NPC247018 |
Remote Similarity | 0.6957 | NPC100134 |
Remote Similarity | 0.6957 | NPC326592 |
Remote Similarity | 0.6957 | NPC244250 |
Remote Similarity | 0.6957 | NPC209760 |
Remote Similarity | 0.6957 | NPC112701 |
Remote Similarity | 0.6957 | NPC236756 |
Remote Similarity | 0.6957 | NPC311579 |
Remote Similarity | 0.6957 | NPC20907 |
Remote Similarity | 0.6957 | NPC268193 |
Remote Similarity | 0.6957 | NPC109594 |
Remote Similarity | 0.6954 | NPC471316 |
Remote Similarity | 0.6952 | NPC475784 |
Remote Similarity | 0.695 | NPC33256 |
Remote Similarity | 0.6948 | NPC170101 |
Remote Similarity | 0.6943 | NPC329816 |
Remote Similarity | 0.6941 | NPC939 |
Remote Similarity | 0.694 | NPC471229 |
Remote Similarity | 0.6935 | NPC23817 |
Remote Similarity | 0.6935 | NPC291508 |
Remote Similarity | 0.6935 | NPC78071 |
Remote Similarity | 0.6935 | NPC27337 |
Remote Similarity | 0.6935 | NPC474055 |
TTD   | DIB004288 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 357.14 |
ALogP   | -0.5301 |
MLogP   | 3 |
XLogP   | 3.576 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 9 |
TPSA   | 75.63 |
RO5 Violation   | 0 |