Drug Information

Drug ID:  NPD411
Drug Name:  Triflusal
Molecular Formula:  C10H7F3O4
Canonical SMILES:  CC(=O)Oc1cc(ccc1C(=O)O)C(F)(F)F
Standard InCHI:  InChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)
Standard InCHIKey:  RMWVZGDJPAKBDE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD411

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.


  Similar Natural Products

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 0.9194 NPC311219
High Similarity 0.88 NPC230951
High Similarity 0.8692 NPC71525
High Similarity 0.8538 NPC4164
Intermediate Similarity 0.8413 NPC217423
Intermediate Similarity 0.84 NPC188907
Intermediate Similarity 0.8346 NPC94637
Intermediate Similarity 0.8333 NPC128825
Intermediate Similarity 0.8321 NPC91475
Intermediate Similarity 0.8321 NPC6888
Intermediate Similarity 0.8321 NPC265910
Intermediate Similarity 0.8296 NPC324488
Intermediate Similarity 0.8284 NPC238309
Intermediate Similarity 0.8284 NPC473019
Intermediate Similarity 0.8281 NPC90522
Intermediate Similarity 0.8281 NPC328459
Intermediate Similarity 0.8268 NPC240664
Intermediate Similarity 0.8235 NPC470160
Intermediate Similarity 0.8217 NPC474874
Intermediate Similarity 0.8217 NPC72977
Intermediate Similarity 0.8203 NPC171023
Intermediate Similarity 0.8182 NPC193805
Intermediate Similarity 0.8175 NPC287533
Intermediate Similarity 0.8143 NPC332594
Intermediate Similarity 0.8134 NPC181715
Intermediate Similarity 0.8099 NPC220106
Intermediate Similarity 0.8088 NPC12694
Intermediate Similarity 0.8088 NPC42292
Intermediate Similarity 0.8088 NPC307732
Intermediate Similarity 0.8077 NPC233282
Intermediate Similarity 0.8077 NPC14177
Intermediate Similarity 0.8058 NPC298900
Intermediate Similarity 0.8047 NPC312800
Intermediate Similarity 0.8047 NPC33717
Intermediate Similarity 0.8045 NPC4012
Intermediate Similarity 0.8045 NPC145134
Intermediate Similarity 0.8045 NPC470163
Intermediate Similarity 0.8045 NPC470162
Intermediate Similarity 0.8042 NPC105648
Intermediate Similarity 0.8042 NPC24075
Intermediate Similarity 0.8029 NPC141549
Intermediate Similarity 0.8027 NPC70764
Intermediate Similarity 0.8014 NPC98395
Intermediate Similarity 0.8 NPC141068
Intermediate Similarity 0.7986 NPC1534
Intermediate Similarity 0.7985 NPC287473
Intermediate Similarity 0.7984 NPC45104
Intermediate Similarity 0.7984 NPC125252
Intermediate Similarity 0.7984 NPC100551
Intermediate Similarity 0.7959 NPC37139
Intermediate Similarity 0.7959 NPC228012
Intermediate Similarity 0.7959 NPC105415
Intermediate Similarity 0.7958 NPC268691
Intermediate Similarity 0.7956 NPC278787
Intermediate Similarity 0.7956 NPC7569
Intermediate Similarity 0.7945 NPC211565
Intermediate Similarity 0.7945 NPC60389
Intermediate Similarity 0.7945 NPC308799
Intermediate Similarity 0.7943 NPC135837
Intermediate Similarity 0.7943 NPC477534
Intermediate Similarity 0.7941 NPC293453
Intermediate Similarity 0.7939 NPC193193
Intermediate Similarity 0.7939 NPC31314
Intermediate Similarity 0.7931 NPC95123
Intermediate Similarity 0.7931 NPC66404
Intermediate Similarity 0.7929 NPC180905
Intermediate Similarity 0.7929 NPC182496
Intermediate Similarity 0.7919 NPC39819
Intermediate Similarity 0.7914 NPC289572
Intermediate Similarity 0.7914 NPC157478
Intermediate Similarity 0.7914 NPC200422
Intermediate Similarity 0.7914 NPC295406
Intermediate Similarity 0.7914 NPC43627
Intermediate Similarity 0.791 NPC56332
Intermediate Similarity 0.7907 NPC163398
Intermediate Similarity 0.7905 NPC233267
Intermediate Similarity 0.7905 NPC291049
Intermediate Similarity 0.7905 NPC285527
Intermediate Similarity 0.7905 NPC106334
Intermediate Similarity 0.7902 NPC165172
Intermediate Similarity 0.7895 NPC69403
Intermediate Similarity 0.7895 NPC291189
Intermediate Similarity 0.7895 NPC46634
Intermediate Similarity 0.7891 NPC113428
Intermediate Similarity 0.7891 NPC61284
Intermediate Similarity 0.7891 NPC81808
Intermediate Similarity 0.7883 NPC187907
Intermediate Similarity 0.7879 NPC165197
Intermediate Similarity 0.7877 NPC469764
Intermediate Similarity 0.7877 NPC29577
Intermediate Similarity 0.7877 NPC32470
Intermediate Similarity 0.7877 NPC134621
Intermediate Similarity 0.7872 NPC472881
Intermediate Similarity 0.7863 NPC98748
Intermediate Similarity 0.7857 NPC474097
Intermediate Similarity 0.7852 NPC475717
Intermediate Similarity 0.7852 NPC164527
Intermediate Similarity 0.7852 NPC213382
Intermediate Similarity 0.7852 NPC224657
Intermediate Similarity 0.7852 NPC158866
Intermediate Similarity 0.7847 NPC145673
Intermediate Similarity 0.7842 NPC118253
Intermediate Similarity 0.7836 NPC93730
Intermediate Similarity 0.7832 NPC473988
Intermediate Similarity 0.7832 NPC18457
Intermediate Similarity 0.7829 NPC161304
Intermediate Similarity 0.7826 NPC109778
Intermediate Similarity 0.7826 NPC473271
Intermediate Similarity 0.7823 NPC196114
Intermediate Similarity 0.7823 NPC99454
Intermediate Similarity 0.7823 NPC267509
Intermediate Similarity 0.7823 NPC130176
Intermediate Similarity 0.7823 NPC237208
Intermediate Similarity 0.7823 NPC469758
Intermediate Similarity 0.782 NPC25168
Intermediate Similarity 0.7817 NPC472516
Intermediate Similarity 0.7815 NPC477691
Intermediate Similarity 0.7812 NPC211421
Intermediate Similarity 0.7812 NPC53953
Intermediate Similarity 0.781 NPC2401
Intermediate Similarity 0.7808 NPC469385
Intermediate Similarity 0.7803 NPC470092
Intermediate Similarity 0.7803 NPC260837
Intermediate Similarity 0.7801 NPC29317
Intermediate Similarity 0.7801 NPC176102
Intermediate Similarity 0.7801 NPC204257
Intermediate Similarity 0.7801 NPC254832
Intermediate Similarity 0.7801 NPC71108
Intermediate Similarity 0.7801 NPC229638
Intermediate Similarity 0.7801 NPC267539
Intermediate Similarity 0.78 NPC133856
Intermediate Similarity 0.7794 NPC95309
Intermediate Similarity 0.7794 NPC475236
Intermediate Similarity 0.7793 NPC474385
Intermediate Similarity 0.7786 NPC477536
Intermediate Similarity 0.7786 NPC472591
Intermediate Similarity 0.7786 NPC32298
Intermediate Similarity 0.7778 NPC221798
Intermediate Similarity 0.7778 NPC109232
Intermediate Similarity 0.7778 NPC89630
Intermediate Similarity 0.7778 NPC477537
Intermediate Similarity 0.777 NPC270369
Intermediate Similarity 0.777 NPC12305
Intermediate Similarity 0.777 NPC470831
Intermediate Similarity 0.777 NPC83975
Intermediate Similarity 0.777 NPC7012
Intermediate Similarity 0.777 NPC301717
Intermediate Similarity 0.777 NPC214702
Intermediate Similarity 0.777 NPC205360
Intermediate Similarity 0.777 NPC137264
Intermediate Similarity 0.777 NPC5515
Intermediate Similarity 0.7769 NPC470860
Intermediate Similarity 0.7763 NPC237560
Intermediate Similarity 0.7762 NPC103001
Intermediate Similarity 0.7762 NPC207516
Intermediate Similarity 0.7761 NPC297193
Intermediate Similarity 0.7755 NPC312789
Intermediate Similarity 0.7755 NPC472034
Intermediate Similarity 0.7754 NPC261759
Intermediate Similarity 0.7754 NPC197425
Intermediate Similarity 0.7748 NPC477690
Intermediate Similarity 0.7748 NPC271681
Intermediate Similarity 0.7748 NPC281272
Intermediate Similarity 0.7748 NPC273483
Intermediate Similarity 0.7746 NPC242712
Intermediate Similarity 0.7744 NPC322569
Intermediate Similarity 0.7744 NPC272454
Intermediate Similarity 0.7744 NPC301987
Intermediate Similarity 0.7744 NPC159760
Intermediate Similarity 0.7744 NPC244994
Intermediate Similarity 0.7744 NPC179092
Intermediate Similarity 0.7744 NPC222876
Intermediate Similarity 0.7744 NPC26433
Intermediate Similarity 0.7744 NPC115188
Intermediate Similarity 0.7744 NPC292665
Intermediate Similarity 0.7744 NPC35856
Intermediate Similarity 0.7744 NPC178395
Intermediate Similarity 0.7737 NPC95034
Intermediate Similarity 0.7737 NPC470841
Intermediate Similarity 0.7737 NPC298884
Intermediate Similarity 0.7737 NPC22783
Intermediate Similarity 0.7737 NPC142087
Intermediate Similarity 0.7737 NPC293387
Intermediate Similarity 0.7737 NPC264428
Intermediate Similarity 0.7733 NPC470107
Intermediate Similarity 0.7733 NPC225129
Intermediate Similarity 0.7733 NPC295036
Intermediate Similarity 0.7733 NPC150928
Intermediate Similarity 0.773 NPC175943
Intermediate Similarity 0.7727 NPC54243
Intermediate Similarity 0.7727 NPC184579
Intermediate Similarity 0.7727 NPC233165
Intermediate Similarity 0.7727 NPC35744
Intermediate Similarity 0.7727 NPC472593
Intermediate Similarity 0.7727 NPC264976
Intermediate Similarity 0.7727 NPC61779
Intermediate Similarity 0.7724 NPC475730
Intermediate Similarity 0.7724 NPC90411
Intermediate Similarity 0.7724 NPC67650
Intermediate Similarity 0.7724 NPC1704

Drug Structure

External Identifiers

TTD  
DrugBank   DB08814
ChEMBL   CHEMBL1332032
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   94721
CAS Number  322-79-2

Drug Properties

Molecular Weight  248.03
ALogP  0.7771
MLogP  1.79
XLogP  3.478
HDA  3
HBD  1
Rotatable Bonds  9
TPSA  63.6
RO5 Violation  0