Drug ID:   | NPD1558 |
Drug Name:   | MUT-056399 |
Molecular Formula:   | C15H13F2NO3 |
Canonical SMILES:   | CCc1cc(O)c(cc1F)Oc1ccc(cc1F)C(=N)O |
Standard InCHI:   | InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20) |
Standard InCHIKey:   | QUHARGDBJJUOEB-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 1 |
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 |
---|---|---|
High Similarity | 0.874 | NPC183262 |
Intermediate Similarity | 0.8425 | NPC86947 |
Intermediate Similarity | 0.8409 | NPC194519 |
Intermediate Similarity | 0.8346 | NPC178284 |
Intermediate Similarity | 0.8346 | NPC58607 |
Intermediate Similarity | 0.8346 | NPC191037 |
Intermediate Similarity | 0.8333 | NPC122792 |
Intermediate Similarity | 0.8333 | NPC228972 |
Intermediate Similarity | 0.8284 | NPC41706 |
Intermediate Similarity | 0.8284 | NPC210355 |
Intermediate Similarity | 0.8284 | NPC183181 |
Intermediate Similarity | 0.8284 | NPC118787 |
Intermediate Similarity | 0.8284 | NPC163332 |
Intermediate Similarity | 0.8284 | NPC292056 |
Intermediate Similarity | 0.8284 | NPC319625 |
Intermediate Similarity | 0.8284 | NPC111247 |
Intermediate Similarity | 0.8284 | NPC147821 |
Intermediate Similarity | 0.8244 | NPC145780 |
Intermediate Similarity | 0.8203 | NPC221049 |
Intermediate Similarity | 0.8195 | NPC94276 |
Intermediate Similarity | 0.8195 | NPC109822 |
Intermediate Similarity | 0.8195 | NPC293701 |
Intermediate Similarity | 0.8195 | NPC114901 |
Intermediate Similarity | 0.8195 | NPC48990 |
Intermediate Similarity | 0.8182 | NPC71090 |
Intermediate Similarity | 0.8162 | NPC5851 |
Intermediate Similarity | 0.8162 | NPC86030 |
Intermediate Similarity | 0.8148 | NPC470699 |
Intermediate Similarity | 0.814 | NPC293619 |
Intermediate Similarity | 0.812 | NPC471693 |
Intermediate Similarity | 0.8106 | NPC127389 |
Intermediate Similarity | 0.8106 | NPC290451 |
Intermediate Similarity | 0.8102 | NPC472338 |
Intermediate Similarity | 0.8102 | NPC114102 |
Intermediate Similarity | 0.8095 | NPC156840 |
Intermediate Similarity | 0.8095 | NPC257124 |
Intermediate Similarity | 0.8095 | NPC8547 |
Intermediate Similarity | 0.8095 | NPC173746 |
Intermediate Similarity | 0.8088 | NPC72529 |
Intermediate Similarity | 0.8088 | NPC155838 |
Intermediate Similarity | 0.8085 | NPC299583 |
Intermediate Similarity | 0.8077 | NPC470626 |
Intermediate Similarity | 0.8077 | NPC255675 |
Intermediate Similarity | 0.8074 | NPC181361 |
Intermediate Similarity | 0.806 | NPC5796 |
Intermediate Similarity | 0.806 | NPC206487 |
Intermediate Similarity | 0.8045 | NPC41562 |
Intermediate Similarity | 0.8043 | NPC472597 |
Intermediate Similarity | 0.8043 | NPC214869 |
Intermediate Similarity | 0.8029 | NPC195749 |
Intermediate Similarity | 0.8029 | NPC35961 |
Intermediate Similarity | 0.8029 | NPC52029 |
Intermediate Similarity | 0.8015 | NPC186898 |
Intermediate Similarity | 0.8015 | NPC310338 |
Intermediate Similarity | 0.8015 | NPC320987 |
Intermediate Similarity | 0.8015 | NPC281298 |
Intermediate Similarity | 0.8015 | NPC181969 |
Intermediate Similarity | 0.8015 | NPC20674 |
Intermediate Similarity | 0.8014 | NPC204848 |
Intermediate Similarity | 0.8014 | NPC312770 |
Intermediate Similarity | 0.8014 | NPC14600 |
Intermediate Similarity | 0.8014 | NPC41473 |
Intermediate Similarity | 0.8014 | NPC160607 |
Intermediate Similarity | 0.8 | NPC234400 |
Intermediate Similarity | 0.8 | NPC203133 |
Intermediate Similarity | 0.8 | NPC116907 |
Intermediate Similarity | 0.8 | NPC208950 |
Intermediate Similarity | 0.8 | NPC148627 |
Intermediate Similarity | 0.8 | NPC193544 |
Intermediate Similarity | 0.8 | NPC117214 |
Intermediate Similarity | 0.8 | NPC221077 |
Intermediate Similarity | 0.8 | NPC233410 |
Intermediate Similarity | 0.8 | NPC17943 |
Intermediate Similarity | 0.8 | NPC60885 |
Intermediate Similarity | 0.8 | NPC472093 |
Intermediate Similarity | 0.8 | NPC251855 |
Intermediate Similarity | 0.8 | NPC57490 |
Intermediate Similarity | 0.8 | NPC298757 |
Intermediate Similarity | 0.8 | NPC475169 |
Intermediate Similarity | 0.7986 | NPC7903 |
Intermediate Similarity | 0.7986 | NPC160991 |
Intermediate Similarity | 0.7986 | NPC86655 |
Intermediate Similarity | 0.7986 | NPC35932 |
Intermediate Similarity | 0.7986 | NPC16208 |
Intermediate Similarity | 0.7986 | NPC184447 |
Intermediate Similarity | 0.7986 | NPC202762 |
Intermediate Similarity | 0.7985 | NPC197757 |
Intermediate Similarity | 0.7985 | NPC228922 |
Intermediate Similarity | 0.7985 | NPC140359 |
Intermediate Similarity | 0.7985 | NPC13020 |
Intermediate Similarity | 0.7971 | NPC91291 |
Intermediate Similarity | 0.797 | NPC470804 |
Intermediate Similarity | 0.7959 | NPC470935 |
Intermediate Similarity | 0.7959 | NPC471032 |
Intermediate Similarity | 0.7958 | NPC296898 |
Intermediate Similarity | 0.7956 | NPC129570 |
Intermediate Similarity | 0.7956 | NPC474178 |
Intermediate Similarity | 0.7956 | NPC184733 |
Intermediate Similarity | 0.7956 | NPC128208 |
Intermediate Similarity | 0.7956 | NPC245826 |
Intermediate Similarity | 0.7956 | NPC45774 |
Intermediate Similarity | 0.7956 | NPC226331 |
Intermediate Similarity | 0.7956 | NPC282703 |
Intermediate Similarity | 0.7956 | NPC11258 |
Intermediate Similarity | 0.7956 | NPC252307 |
Intermediate Similarity | 0.7956 | NPC21867 |
Intermediate Similarity | 0.7956 | NPC46274 |
Intermediate Similarity | 0.7955 | NPC165133 |
Intermediate Similarity | 0.7955 | NPC117780 |
Intermediate Similarity | 0.7955 | NPC242885 |
Intermediate Similarity | 0.7955 | NPC35071 |
Intermediate Similarity | 0.7955 | NPC61516 |
Intermediate Similarity | 0.7955 | NPC10932 |
Intermediate Similarity | 0.7955 | NPC232084 |
Intermediate Similarity | 0.7955 | NPC247364 |
Intermediate Similarity | 0.7955 | NPC232316 |
Intermediate Similarity | 0.7955 | NPC227217 |
Intermediate Similarity | 0.7955 | NPC177475 |
Intermediate Similarity | 0.7955 | NPC56214 |
Intermediate Similarity | 0.7955 | NPC148615 |
Intermediate Similarity | 0.7955 | NPC95614 |
Intermediate Similarity | 0.7941 | NPC103823 |
Intermediate Similarity | 0.7941 | NPC214406 |
Intermediate Similarity | 0.7941 | NPC223136 |
Intermediate Similarity | 0.7941 | NPC18924 |
Intermediate Similarity | 0.7941 | NPC17837 |
Intermediate Similarity | 0.7941 | NPC304630 |
Intermediate Similarity | 0.7941 | NPC28730 |
Intermediate Similarity | 0.7941 | NPC44748 |
Intermediate Similarity | 0.7941 | NPC78974 |
Intermediate Similarity | 0.7937 | NPC36108 |
Intermediate Similarity | 0.7937 | NPC233731 |
Intermediate Similarity | 0.7937 | NPC246358 |
Intermediate Similarity | 0.7937 | NPC7097 |
Intermediate Similarity | 0.7937 | NPC71266 |
Intermediate Similarity | 0.7929 | NPC475840 |
Intermediate Similarity | 0.7929 | NPC168059 |
Intermediate Similarity | 0.7929 | NPC229442 |
Intermediate Similarity | 0.791 | NPC262253 |
Intermediate Similarity | 0.791 | NPC209567 |
Intermediate Similarity | 0.791 | NPC71579 |
Intermediate Similarity | 0.791 | NPC473411 |
Intermediate Similarity | 0.7899 | NPC470258 |
Intermediate Similarity | 0.7899 | NPC190629 |
Intermediate Similarity | 0.7899 | NPC226788 |
Intermediate Similarity | 0.7899 | NPC222004 |
Intermediate Similarity | 0.7899 | NPC202582 |
Intermediate Similarity | 0.7899 | NPC3439 |
Intermediate Similarity | 0.7899 | NPC45824 |
Intermediate Similarity | 0.7899 | NPC218856 |
Intermediate Similarity | 0.7899 | NPC210623 |
Intermediate Similarity | 0.7899 | NPC285339 |
Intermediate Similarity | 0.7899 | NPC273295 |
Intermediate Similarity | 0.7895 | NPC207613 |
Intermediate Similarity | 0.7891 | NPC115144 |
Intermediate Similarity | 0.7891 | NPC277857 |
Intermediate Similarity | 0.7887 | NPC254610 |
Intermediate Similarity | 0.7883 | NPC169474 |
Intermediate Similarity | 0.7883 | NPC159968 |
Intermediate Similarity | 0.7883 | NPC246620 |
Intermediate Similarity | 0.7883 | NPC236791 |
Intermediate Similarity | 0.7883 | NPC124452 |
Intermediate Similarity | 0.7883 | NPC474119 |
Intermediate Similarity | 0.7883 | NPC165045 |
Intermediate Similarity | 0.7883 | NPC251571 |
Intermediate Similarity | 0.7883 | NPC82679 |
Intermediate Similarity | 0.7883 | NPC74817 |
Intermediate Similarity | 0.7883 | NPC21563 |
Intermediate Similarity | 0.7883 | NPC153990 |
Intermediate Similarity | 0.7883 | NPC282000 |
Intermediate Similarity | 0.7883 | NPC127587 |
Intermediate Similarity | 0.7883 | NPC266555 |
Intermediate Similarity | 0.7883 | NPC118533 |
Intermediate Similarity | 0.7883 | NPC324112 |
Intermediate Similarity | 0.7883 | NPC5428 |
Intermediate Similarity | 0.7883 | NPC293054 |
Intermediate Similarity | 0.7883 | NPC106511 |
Intermediate Similarity | 0.7883 | NPC5447 |
Intermediate Similarity | 0.7883 | NPC250432 |
Intermediate Similarity | 0.7879 | NPC226629 |
Intermediate Similarity | 0.7872 | NPC310854 |
Intermediate Similarity | 0.7872 | NPC237594 |
Intermediate Similarity | 0.7872 | NPC106215 |
Intermediate Similarity | 0.7872 | NPC187616 |
Intermediate Similarity | 0.7872 | NPC317380 |
Intermediate Similarity | 0.7872 | NPC476387 |
Intermediate Similarity | 0.7872 | NPC119060 |
Intermediate Similarity | 0.7872 | NPC170694 |
Intermediate Similarity | 0.7872 | NPC193026 |
Intermediate Similarity | 0.7872 | NPC49603 |
Intermediate Similarity | 0.7872 | NPC249791 |
Intermediate Similarity | 0.7872 | NPC478085 |
Intermediate Similarity | 0.7868 | NPC299584 |
Intermediate Similarity | 0.7868 | NPC3221 |
Intermediate Similarity | 0.7868 | NPC265483 |
Intermediate Similarity | 0.7868 | NPC87113 |
Intermediate Similarity | 0.7868 | NPC82483 |
Intermediate Similarity | 0.7863 | NPC259638 |
Intermediate Similarity | 0.7857 | NPC127624 |
Intermediate Similarity | 0.7857 | NPC474134 |
TTD   | DIB006241 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 293.09 |
ALogP   | 0.5703 |
MLogP   | 2.45 |
XLogP   | 3.963 |
HDA   | 2 |
HBD   | 3 |
Rotatable Bonds   | 9 |
TPSA   | 73.54 |
RO5 Violation   | 0 |