Drug ID:   | NPD1164 |
Drug Name:   | Diflunisal |
Molecular Formula:   | C13H8F2O3 |
Canonical SMILES:   | Fc1ccc(c(c1)F)c1ccc(c(c1)C(=O)O)O |
Standard InCHI:   | InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) |
Standard InCHIKey:   | HUPFGZXOMWLGNK-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 |
---|---|---|
High Similarity | 0.8952 | NPC236189 |
High Similarity | 0.8943 | NPC283514 |
High Similarity | 0.8862 | NPC198336 |
High Similarity | 0.8739 | NPC211421 |
High Similarity | 0.8689 | NPC184527 |
High Similarity | 0.8682 | NPC31539 |
High Similarity | 0.8672 | NPC95537 |
High Similarity | 0.864 | NPC244351 |
Intermediate Similarity | 0.848 | NPC216216 |
Intermediate Similarity | 0.8475 | NPC100551 |
Intermediate Similarity | 0.8468 | NPC233165 |
Intermediate Similarity | 0.8468 | NPC184579 |
Intermediate Similarity | 0.8455 | NPC125252 |
Intermediate Similarity | 0.8413 | NPC295034 |
Intermediate Similarity | 0.8413 | NPC156139 |
Intermediate Similarity | 0.84 | NPC233282 |
Intermediate Similarity | 0.8372 | NPC160499 |
Intermediate Similarity | 0.8372 | NPC62952 |
Intermediate Similarity | 0.837 | NPC62272 |
Intermediate Similarity | 0.8346 | NPC32032 |
Intermediate Similarity | 0.8346 | NPC133909 |
Intermediate Similarity | 0.8333 | NPC115188 |
Intermediate Similarity | 0.8333 | NPC26433 |
Intermediate Similarity | 0.8333 | NPC297186 |
Intermediate Similarity | 0.8333 | NPC301987 |
Intermediate Similarity | 0.8333 | NPC244994 |
Intermediate Similarity | 0.8333 | NPC35856 |
Intermediate Similarity | 0.8333 | NPC292665 |
Intermediate Similarity | 0.8333 | NPC179092 |
Intermediate Similarity | 0.8333 | NPC272454 |
Intermediate Similarity | 0.8333 | NPC178395 |
Intermediate Similarity | 0.8333 | NPC159760 |
Intermediate Similarity | 0.8333 | NPC222876 |
Intermediate Similarity | 0.8321 | NPC474998 |
Intermediate Similarity | 0.8309 | NPC4214 |
Intermediate Similarity | 0.8308 | NPC266689 |
Intermediate Similarity | 0.8308 | NPC162612 |
Intermediate Similarity | 0.8308 | NPC30501 |
Intermediate Similarity | 0.8308 | NPC72158 |
Intermediate Similarity | 0.8308 | NPC105157 |
Intermediate Similarity | 0.8308 | NPC100067 |
Intermediate Similarity | 0.8308 | NPC190043 |
Intermediate Similarity | 0.8308 | NPC169250 |
Intermediate Similarity | 0.8308 | NPC23126 |
Intermediate Similarity | 0.8308 | NPC98254 |
Intermediate Similarity | 0.8308 | NPC103356 |
Intermediate Similarity | 0.8296 | NPC118919 |
Intermediate Similarity | 0.8268 | NPC19174 |
Intermediate Similarity | 0.8268 | NPC224273 |
Intermediate Similarity | 0.8268 | NPC196976 |
Intermediate Similarity | 0.8268 | NPC242895 |
Intermediate Similarity | 0.8268 | NPC73532 |
Intermediate Similarity | 0.8268 | NPC115159 |
Intermediate Similarity | 0.8268 | NPC45438 |
Intermediate Similarity | 0.8268 | NPC143427 |
Intermediate Similarity | 0.8268 | NPC267552 |
Intermediate Similarity | 0.8244 | NPC473017 |
Intermediate Similarity | 0.8244 | NPC21305 |
Intermediate Similarity | 0.8244 | NPC221777 |
Intermediate Similarity | 0.824 | NPC273282 |
Intermediate Similarity | 0.824 | NPC474890 |
Intermediate Similarity | 0.824 | NPC161943 |
Intermediate Similarity | 0.8235 | NPC141523 |
Intermediate Similarity | 0.8231 | NPC8745 |
Intermediate Similarity | 0.8231 | NPC473751 |
Intermediate Similarity | 0.8231 | NPC267846 |
Intermediate Similarity | 0.8226 | NPC128825 |
Intermediate Similarity | 0.8222 | NPC72918 |
Intermediate Similarity | 0.8222 | NPC161632 |
Intermediate Similarity | 0.8217 | NPC13238 |
Intermediate Similarity | 0.8203 | NPC68167 |
Intermediate Similarity | 0.8203 | NPC300274 |
Intermediate Similarity | 0.8203 | NPC309765 |
Intermediate Similarity | 0.8197 | NPC286222 |
Intermediate Similarity | 0.8195 | NPC244699 |
Intermediate Similarity | 0.8182 | NPC99731 |
Intermediate Similarity | 0.8175 | NPC195262 |
Intermediate Similarity | 0.8175 | NPC188814 |
Intermediate Similarity | 0.8168 | NPC116513 |
Intermediate Similarity | 0.8167 | NPC224584 |
Intermediate Similarity | 0.8154 | NPC10926 |
Intermediate Similarity | 0.8148 | NPC282780 |
Intermediate Similarity | 0.8148 | NPC166480 |
Intermediate Similarity | 0.8145 | NPC322197 |
Intermediate Similarity | 0.814 | NPC375356 |
Intermediate Similarity | 0.813 | NPC242136 |
Intermediate Similarity | 0.8125 | NPC303737 |
Intermediate Similarity | 0.811 | NPC159525 |
Intermediate Similarity | 0.8106 | NPC229894 |
Intermediate Similarity | 0.8106 | NPC48248 |
Intermediate Similarity | 0.8102 | NPC44960 |
Intermediate Similarity | 0.8102 | NPC474110 |
Intermediate Similarity | 0.8095 | NPC328694 |
Intermediate Similarity | 0.8095 | NPC241089 |
Intermediate Similarity | 0.8095 | NPC94637 |
Intermediate Similarity | 0.808 | NPC312800 |
Intermediate Similarity | 0.808 | NPC83718 |
Intermediate Similarity | 0.8077 | NPC142956 |
Intermediate Similarity | 0.8077 | NPC265910 |
Intermediate Similarity | 0.8077 | NPC173978 |
Intermediate Similarity | 0.8077 | NPC91475 |
Intermediate Similarity | 0.8074 | NPC139074 |
Intermediate Similarity | 0.8074 | NPC213485 |
Intermediate Similarity | 0.8074 | NPC40524 |
Intermediate Similarity | 0.8062 | NPC307174 |
Intermediate Similarity | 0.806 | NPC72669 |
Intermediate Similarity | 0.806 | NPC474517 |
Intermediate Similarity | 0.806 | NPC475042 |
Intermediate Similarity | 0.8058 | NPC168471 |
Intermediate Similarity | 0.8051 | NPC470202 |
Intermediate Similarity | 0.8047 | NPC165197 |
Intermediate Similarity | 0.8045 | NPC92624 |
Intermediate Similarity | 0.8045 | NPC117899 |
Intermediate Similarity | 0.8045 | NPC476119 |
Intermediate Similarity | 0.8031 | NPC90522 |
Intermediate Similarity | 0.8031 | NPC161617 |
Intermediate Similarity | 0.8031 | NPC182240 |
Intermediate Similarity | 0.8031 | NPC158222 |
Intermediate Similarity | 0.8031 | NPC328459 |
Intermediate Similarity | 0.8029 | NPC291454 |
Intermediate Similarity | 0.8029 | NPC223836 |
Intermediate Similarity | 0.8017 | NPC17525 |
Intermediate Similarity | 0.8015 | NPC50924 |
Intermediate Similarity | 0.8015 | NPC262671 |
Intermediate Similarity | 0.8015 | NPC4164 |
Intermediate Similarity | 0.8015 | NPC44437 |
Intermediate Similarity | 0.8015 | NPC103540 |
Intermediate Similarity | 0.8015 | NPC167055 |
Intermediate Similarity | 0.8015 | NPC201728 |
Intermediate Similarity | 0.8015 | NPC240744 |
Intermediate Similarity | 0.8015 | NPC288089 |
Intermediate Similarity | 0.8014 | NPC66593 |
Intermediate Similarity | 0.8 | NPC174991 |
Intermediate Similarity | 0.8 | NPC161304 |
Intermediate Similarity | 0.8 | NPC175738 |
Intermediate Similarity | 0.8 | NPC275145 |
Intermediate Similarity | 0.8 | NPC290550 |
Intermediate Similarity | 0.7986 | NPC112789 |
Intermediate Similarity | 0.7986 | NPC19622 |
Intermediate Similarity | 0.7985 | NPC17840 |
Intermediate Similarity | 0.7985 | NPC259942 |
Intermediate Similarity | 0.7985 | NPC31799 |
Intermediate Similarity | 0.7985 | NPC247477 |
Intermediate Similarity | 0.7984 | NPC223004 |
Intermediate Similarity | 0.7984 | NPC215392 |
Intermediate Similarity | 0.7984 | NPC25168 |
Intermediate Similarity | 0.7971 | NPC53414 |
Intermediate Similarity | 0.7971 | NPC261292 |
Intermediate Similarity | 0.7971 | NPC53206 |
Intermediate Similarity | 0.7971 | NPC301915 |
Intermediate Similarity | 0.797 | NPC193203 |
Intermediate Similarity | 0.797 | NPC96024 |
Intermediate Similarity | 0.797 | NPC282923 |
Intermediate Similarity | 0.7969 | NPC206778 |
Intermediate Similarity | 0.7969 | NPC72977 |
Intermediate Similarity | 0.7969 | NPC285829 |
Intermediate Similarity | 0.7956 | NPC283590 |
Intermediate Similarity | 0.7956 | NPC61153 |
Intermediate Similarity | 0.7956 | NPC283088 |
Intermediate Similarity | 0.7956 | NPC70859 |
Intermediate Similarity | 0.7956 | NPC130899 |
Intermediate Similarity | 0.7956 | NPC470210 |
Intermediate Similarity | 0.7956 | NPC290803 |
Intermediate Similarity | 0.7955 | NPC96915 |
Intermediate Similarity | 0.7953 | NPC249435 |
Intermediate Similarity | 0.7941 | NPC37299 |
Intermediate Similarity | 0.7941 | NPC48036 |
Intermediate Similarity | 0.7941 | NPC52407 |
Intermediate Similarity | 0.7941 | NPC53896 |
Intermediate Similarity | 0.7941 | NPC180261 |
Intermediate Similarity | 0.7941 | NPC287533 |
Intermediate Similarity | 0.7941 | NPC267205 |
Intermediate Similarity | 0.7939 | NPC164014 |
Intermediate Similarity | 0.7937 | NPC477453 |
Intermediate Similarity | 0.7937 | NPC108288 |
Intermediate Similarity | 0.7929 | NPC470986 |
Intermediate Similarity | 0.7929 | NPC275903 |
Intermediate Similarity | 0.7929 | NPC183345 |
Intermediate Similarity | 0.7926 | NPC93015 |
Intermediate Similarity | 0.7926 | NPC41847 |
Intermediate Similarity | 0.7926 | NPC85342 |
Intermediate Similarity | 0.7926 | NPC18798 |
Intermediate Similarity | 0.7923 | NPC91105 |
Intermediate Similarity | 0.7923 | NPC67300 |
Intermediate Similarity | 0.7923 | NPC297193 |
Intermediate Similarity | 0.792 | NPC276111 |
Intermediate Similarity | 0.792 | NPC118288 |
Intermediate Similarity | 0.7917 | NPC303141 |
Intermediate Similarity | 0.7914 | NPC221104 |
Intermediate Similarity | 0.791 | NPC102829 |
Intermediate Similarity | 0.791 | NPC34414 |
Intermediate Similarity | 0.791 | NPC473019 |
Intermediate Similarity | 0.791 | NPC146647 |
Intermediate Similarity | 0.791 | NPC120488 |
Intermediate Similarity | 0.7907 | NPC146642 |
Intermediate Similarity | 0.7907 | NPC248363 |
Intermediate Similarity | 0.7903 | NPC228988 |
Intermediate Similarity | 0.7899 | NPC254847 |
Intermediate Similarity | 0.7899 | NPC194764 |
Intermediate Similarity | 0.7899 | NPC264112 |
Molecular Weight   | 250.04 |
ALogP   | 0.2593 |
MLogP   | 2.34 |
XLogP   | 3.935 |
HDA   | 2 |
HBD   | 2 |
Rotatable Bonds   | 6 |
TPSA   | 57.53 |
RO5 Violation   | 0 |