Drug Information

Drug ID:  NPD1563
Drug Name:  Flurbiprofen Sodium
Molecular Formula:  C15H13FO2.Na
Canonical SMILES:  [O-]C(=O)C(c1ccc(c(c1)F)c1ccccc1)C.[Na+]
Standard InCHI:  InChI=1S/C15H13FO2.Na/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;/h2-10H,1H3,(H,17,18);/q;+1/p-1
Standard InCHIKey:  AUAGTGKMTMVIKN-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1563

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 0.8791 NPC274455
High Similarity 0.8791 NPC86670
High Similarity 0.8791 NPC70940
High Similarity 0.8667 NPC322387
Intermediate Similarity 0.8427 NPC288903
Intermediate Similarity 0.8421 NPC172925
Intermediate Similarity 0.828 NPC9822
Intermediate Similarity 0.8242 NPC294134
Intermediate Similarity 0.8222 NPC285773
Intermediate Similarity 0.8218 NPC105899
Intermediate Similarity 0.8172 NPC329064
Intermediate Similarity 0.8061 NPC226041
Intermediate Similarity 0.802 NPC329556
Intermediate Similarity 0.7959 NPC261947
Intermediate Similarity 0.7925 NPC66208
Intermediate Similarity 0.7921 NPC304873
Intermediate Similarity 0.7917 NPC86987
Intermediate Similarity 0.79 NPC221825
Intermediate Similarity 0.7889 NPC127343
Intermediate Similarity 0.7826 NPC270507
Intermediate Similarity 0.7826 NPC44830
Intermediate Similarity 0.7822 NPC473325
Intermediate Similarity 0.7822 NPC128248
Intermediate Similarity 0.7822 NPC225079
Intermediate Similarity 0.7822 NPC133809
Intermediate Similarity 0.7822 NPC136810
Intermediate Similarity 0.781 NPC318327
Intermediate Similarity 0.7788 NPC142326
Intermediate Similarity 0.7788 NPC94751
Intermediate Similarity 0.7755 NPC261181
Intermediate Similarity 0.7723 NPC217621
Intermediate Similarity 0.7723 NPC476042
Intermediate Similarity 0.7717 NPC323103
Intermediate Similarity 0.7717 NPC103387
Intermediate Similarity 0.77 NPC270654
Intermediate Similarity 0.7692 NPC121800
Intermediate Similarity 0.767 NPC255676
Intermediate Similarity 0.7667 NPC103488
Intermediate Similarity 0.766 NPC95965
Intermediate Similarity 0.7629 NPC84288
Intermediate Similarity 0.7582 NPC170484
Intermediate Similarity 0.7573 NPC25458
Intermediate Similarity 0.7549 NPC7435
Intermediate Similarity 0.7526 NPC231591
Intermediate Similarity 0.7525 NPC253423
Intermediate Similarity 0.75 NPC157055
Intermediate Similarity 0.75 NPC475002
Intermediate Similarity 0.75 NPC69057
Intermediate Similarity 0.75 NPC285716
Intermediate Similarity 0.75 NPC95126
Intermediate Similarity 0.75 NPC17408
Intermediate Similarity 0.7476 NPC264728
Intermediate Similarity 0.7476 NPC42211
Intermediate Similarity 0.7474 NPC475710
Intermediate Similarity 0.7455 NPC471721
Intermediate Similarity 0.7453 NPC37914
Intermediate Similarity 0.7451 NPC229242
Intermediate Similarity 0.7449 NPC277277
Intermediate Similarity 0.7434 NPC328694
Intermediate Similarity 0.7429 NPC329282
Intermediate Similarity 0.7396 NPC318107
Intermediate Similarity 0.7391 NPC272260
Intermediate Similarity 0.7387 NPC186933
Intermediate Similarity 0.7383 NPC249811
Intermediate Similarity 0.7379 NPC118343
Intermediate Similarity 0.7379 NPC203925
Intermediate Similarity 0.7374 NPC110704
Intermediate Similarity 0.7374 NPC317645
Intermediate Similarity 0.7364 NPC128368
Intermediate Similarity 0.7363 NPC9796
Intermediate Similarity 0.7363 NPC298023
Intermediate Similarity 0.7358 NPC471186
Intermediate Similarity 0.7353 NPC477767
Intermediate Similarity 0.734 NPC230068
Intermediate Similarity 0.7327 NPC130398
Intermediate Similarity 0.7312 NPC477703
Intermediate Similarity 0.7312 NPC95868
Intermediate Similarity 0.7308 NPC70624
Intermediate Similarity 0.7303 NPC285679
Intermediate Similarity 0.7292 NPC252067
Intermediate Similarity 0.7282 NPC225060
Intermediate Similarity 0.7282 NPC49994
Intermediate Similarity 0.7282 NPC120393
Intermediate Similarity 0.7273 NPC79496
Intermediate Similarity 0.7273 NPC280789
Intermediate Similarity 0.7264 NPC269644
Intermediate Similarity 0.7263 NPC273758
Intermediate Similarity 0.7255 NPC469893
Intermediate Similarity 0.7255 NPC61944
Intermediate Similarity 0.7255 NPC12695
Intermediate Similarity 0.7238 NPC188895
Intermediate Similarity 0.7234 NPC273033
Intermediate Similarity 0.7234 NPC145053
Intermediate Similarity 0.7234 NPC12936
Intermediate Similarity 0.7232 NPC221275
Intermediate Similarity 0.7228 NPC289883
Intermediate Similarity 0.7228 NPC34243
Intermediate Similarity 0.7222 NPC203732
Intermediate Similarity 0.7212 NPC146351
Intermediate Similarity 0.7207 NPC93287
Intermediate Similarity 0.72 NPC141607
Intermediate Similarity 0.72 NPC187725
Intermediate Similarity 0.72 NPC133461
Intermediate Similarity 0.72 NPC103346
Intermediate Similarity 0.7196 NPC209632
Intermediate Similarity 0.7196 NPC172483
Intermediate Similarity 0.7196 NPC134120
Intermediate Similarity 0.7193 NPC228318
Intermediate Similarity 0.7191 NPC74458
Intermediate Similarity 0.7188 NPC267704
Intermediate Similarity 0.7188 NPC95429
Intermediate Similarity 0.7184 NPC92754
Intermediate Similarity 0.7184 NPC469891
Intermediate Similarity 0.7184 NPC249912
Intermediate Similarity 0.7184 NPC469892
Intermediate Similarity 0.7184 NPC103048
Intermediate Similarity 0.7184 NPC276775
Intermediate Similarity 0.7184 NPC469890
Intermediate Similarity 0.7172 NPC298115
Intermediate Similarity 0.7172 NPC220893
Intermediate Similarity 0.717 NPC247976
Intermediate Similarity 0.717 NPC274443
Intermediate Similarity 0.7156 NPC281604
Intermediate Similarity 0.7143 NPC89377
Intermediate Similarity 0.7143 NPC67377
Intermediate Similarity 0.713 NPC244933
Intermediate Similarity 0.713 NPC85560
Intermediate Similarity 0.7129 NPC153885
Intermediate Similarity 0.7128 NPC71664
Intermediate Similarity 0.7128 NPC190567
Intermediate Similarity 0.7126 NPC267443
Intermediate Similarity 0.7117 NPC186128
Intermediate Similarity 0.7115 NPC78701
Intermediate Similarity 0.7115 NPC210529
Intermediate Similarity 0.7115 NPC271475
Intermediate Similarity 0.7115 NPC35448
Intermediate Similarity 0.7115 NPC175852
Intermediate Similarity 0.7115 NPC145052
Intermediate Similarity 0.7115 NPC160548
Intermediate Similarity 0.7105 NPC158157
Intermediate Similarity 0.7105 NPC212891
Intermediate Similarity 0.7103 NPC114594
Intermediate Similarity 0.7103 NPC472221
Intermediate Similarity 0.7103 NPC31786
Intermediate Similarity 0.7103 NPC472222
Intermediate Similarity 0.71 NPC19256
Intermediate Similarity 0.71 NPC213156
Intermediate Similarity 0.71 NPC240108
Intermediate Similarity 0.71 NPC62765
Intermediate Similarity 0.71 NPC173413
Intermediate Similarity 0.7097 NPC224544
Intermediate Similarity 0.7091 NPC273837
Intermediate Similarity 0.7091 NPC158854
Intermediate Similarity 0.7083 NPC197581
Intermediate Similarity 0.7075 NPC244427
Intermediate Similarity 0.7075 NPC284477
Intermediate Similarity 0.7075 NPC222390
Intermediate Similarity 0.7071 NPC157778
Intermediate Similarity 0.7071 NPC267262
Intermediate Similarity 0.7064 NPC156648
Intermediate Similarity 0.7059 NPC318067
Intermediate Similarity 0.7059 NPC238219
Intermediate Similarity 0.7048 NPC325497
Intermediate Similarity 0.7043 NPC45794
Intermediate Similarity 0.7041 NPC160339
Intermediate Similarity 0.7041 NPC307
Intermediate Similarity 0.7037 NPC269457
Intermediate Similarity 0.7033 NPC208075
Intermediate Similarity 0.703 NPC476484
Intermediate Similarity 0.703 NPC125226
Intermediate Similarity 0.7027 NPC474057
Intermediate Similarity 0.7027 NPC210089
Intermediate Similarity 0.7021 NPC151405
Intermediate Similarity 0.7021 NPC300205
Intermediate Similarity 0.7021 NPC139901
Intermediate Similarity 0.7019 NPC239185
Intermediate Similarity 0.7019 NPC289201
Intermediate Similarity 0.7009 NPC60679
Intermediate Similarity 0.7009 NPC160382
Intermediate Similarity 0.7 NPC265407
Intermediate Similarity 0.7 NPC269023
Intermediate Similarity 0.7 NPC325709
Intermediate Similarity 0.7 NPC111088
Intermediate Similarity 0.7 NPC155429
Intermediate Similarity 0.7 NPC83628
Intermediate Similarity 0.7 NPC418308
Intermediate Similarity 0.7 NPC113307
Intermediate Similarity 0.7 NPC99846
Remote Similarity 0.6991 NPC326664
Remote Similarity 0.699 NPC260233
Remote Similarity 0.699 NPC206764
Remote Similarity 0.6983 NPC318173
Remote Similarity 0.6981 NPC282895
Remote Similarity 0.6981 NPC112552
Remote Similarity 0.6981 NPC52472
Remote Similarity 0.6981 NPC469481
Remote Similarity 0.6972 NPC30594
Remote Similarity 0.6972 NPC83409
Remote Similarity 0.6972 NPC185763
Remote Similarity 0.6972 NPC100767

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  243.08
ALogP  -0.1431
MLogP  2.78
XLogP  5.026
HDA  2
HBD  0
Rotatable Bonds  6
TPSA  40.13
RO5 Violation  1