Drug Information

Drug ID:  NPD1929
Drug Name:  Ketoprofen
Molecular Formula:  C16H14O3
Canonical SMILES:  OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C
Standard InCHI:  InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
Standard InCHIKey:  DKYWVDODHFEZIM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1929

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 1.0 NPC329556
High Similarity 0.8725 NPC329282
High Similarity 0.8692 NPC471721
High Similarity 0.8679 NPC66208
High Similarity 0.8673 NPC172925
High Similarity 0.8641 NPC105899
High Similarity 0.8641 NPC134120
High Similarity 0.8632 NPC329064
High Similarity 0.8627 NPC255676
High Similarity 0.8627 NPC247976
High Similarity 0.8598 NPC93287
High Similarity 0.8571 NPC318327
High Similarity 0.8558 NPC37914
High Similarity 0.8557 NPC110704
High Similarity 0.8529 NPC25458
High Similarity 0.8529 NPC304873
High Similarity 0.8526 NPC322387
Intermediate Similarity 0.844 NPC186933
Intermediate Similarity 0.8381 NPC100767
Intermediate Similarity 0.8333 NPC292834
Intermediate Similarity 0.8333 NPC217621
Intermediate Similarity 0.8333 NPC186128
Intermediate Similarity 0.8288 NPC158157
Intermediate Similarity 0.8286 NPC172483
Intermediate Similarity 0.8269 NPC274443
Intermediate Similarity 0.8265 NPC70940
Intermediate Similarity 0.8265 NPC86670
Intermediate Similarity 0.8265 NPC274455
Intermediate Similarity 0.8257 NPC143768
Intermediate Similarity 0.8252 NPC225079
Intermediate Similarity 0.8241 NPC265513
Intermediate Similarity 0.8241 NPC474057
Intermediate Similarity 0.8235 NPC229242
Intermediate Similarity 0.819 NPC318067
Intermediate Similarity 0.8174 NPC269923
Intermediate Similarity 0.8174 NPC167323
Intermediate Similarity 0.8173 NPC222390
Intermediate Similarity 0.8173 NPC244427
Intermediate Similarity 0.8165 NPC280789
Intermediate Similarity 0.8142 NPC318173
Intermediate Similarity 0.8137 NPC253423
Intermediate Similarity 0.8131 NPC203732
Intermediate Similarity 0.8108 NPC476357
Intermediate Similarity 0.8105 NPC285773
Intermediate Similarity 0.8091 NPC470253
Intermediate Similarity 0.8077 NPC133809
Intermediate Similarity 0.8077 NPC136810
Intermediate Similarity 0.8077 NPC128248
Intermediate Similarity 0.807 NPC202015
Intermediate Similarity 0.8037 NPC83409
Intermediate Similarity 0.8037 NPC142326
Intermediate Similarity 0.8037 NPC94751
Intermediate Similarity 0.8037 NPC185763
Intermediate Similarity 0.8034 NPC85511
Intermediate Similarity 0.8034 NPC328107
Intermediate Similarity 0.802 NPC34243
Intermediate Similarity 0.802 NPC261181
Intermediate Similarity 0.8019 NPC472222
Intermediate Similarity 0.8019 NPC249067
Intermediate Similarity 0.8019 NPC472221
Intermediate Similarity 0.8018 NPC196673
Intermediate Similarity 0.8 NPC218855
Intermediate Similarity 0.7981 NPC228435
Intermediate Similarity 0.7963 NPC249811
Intermediate Similarity 0.7961 NPC156021
Intermediate Similarity 0.7961 NPC289201
Intermediate Similarity 0.7959 NPC69057
Intermediate Similarity 0.7946 NPC215419
Intermediate Similarity 0.7944 NPC471186
Intermediate Similarity 0.7938 NPC95965
Intermediate Similarity 0.7928 NPC128368
Intermediate Similarity 0.7921 NPC153885
Intermediate Similarity 0.7917 NPC44830
Intermediate Similarity 0.7917 NPC273758
Intermediate Similarity 0.7909 NPC475002
Intermediate Similarity 0.7909 NPC95126
Intermediate Similarity 0.7909 NPC210089
Intermediate Similarity 0.79 NPC277277
Intermediate Similarity 0.79 NPC62765
Intermediate Similarity 0.7895 NPC80605
Intermediate Similarity 0.7895 NPC222968
Intermediate Similarity 0.7895 NPC12936
Intermediate Similarity 0.7895 NPC273033
Intermediate Similarity 0.7895 NPC323440
Intermediate Similarity 0.7885 NPC49994
Intermediate Similarity 0.7876 NPC322197
Intermediate Similarity 0.7864 NPC261947
Intermediate Similarity 0.7864 NPC61944
Intermediate Similarity 0.7857 NPC67377
Intermediate Similarity 0.7857 NPC234637
Intermediate Similarity 0.7857 NPC130591
Intermediate Similarity 0.7843 NPC289883
Intermediate Similarity 0.7843 NPC238219
Intermediate Similarity 0.783 NPC284477
Intermediate Similarity 0.7822 NPC133461
Intermediate Similarity 0.7822 NPC86987
Intermediate Similarity 0.781 NPC476042
Intermediate Similarity 0.7807 NPC469843
Intermediate Similarity 0.78 NPC9822
Intermediate Similarity 0.78 NPC418308
Intermediate Similarity 0.7798 NPC112903
Intermediate Similarity 0.7798 NPC211439
Intermediate Similarity 0.7789 NPC71664
Intermediate Similarity 0.7789 NPC190567
Intermediate Similarity 0.7789 NPC127343
Intermediate Similarity 0.7788 NPC239185
Intermediate Similarity 0.7788 NPC226041
Intermediate Similarity 0.7788 NPC217111
Intermediate Similarity 0.7769 NPC115797
Intermediate Similarity 0.7769 NPC51448
Intermediate Similarity 0.7768 NPC471481
Intermediate Similarity 0.7767 NPC260233
Intermediate Similarity 0.7759 NPC476645
Intermediate Similarity 0.7759 NPC204784
Intermediate Similarity 0.7745 NPC59677
Intermediate Similarity 0.7745 NPC323420
Intermediate Similarity 0.7745 NPC1682
Intermediate Similarity 0.7745 NPC155232
Intermediate Similarity 0.7745 NPC188844
Intermediate Similarity 0.7736 NPC264728
Intermediate Similarity 0.7736 NPC42211
Intermediate Similarity 0.7736 NPC282895
Intermediate Similarity 0.7736 NPC473325
Intermediate Similarity 0.7732 NPC288903
Intermediate Similarity 0.7731 NPC275145
Intermediate Similarity 0.7723 NPC19256
Intermediate Similarity 0.7723 NPC173413
Intermediate Similarity 0.7714 NPC134882
Intermediate Similarity 0.7714 NPC329387
Intermediate Similarity 0.7714 NPC317280
Intermediate Similarity 0.7714 NPC145052
Intermediate Similarity 0.7706 NPC85560
Intermediate Similarity 0.7706 NPC244933
Intermediate Similarity 0.77 NPC477704
Intermediate Similarity 0.77 NPC157778
Intermediate Similarity 0.77 NPC267262
Intermediate Similarity 0.77 NPC477693
Intermediate Similarity 0.7699 NPC294458
Intermediate Similarity 0.7699 NPC326664
Intermediate Similarity 0.7692 NPC219573
Intermediate Similarity 0.7692 NPC185208
Intermediate Similarity 0.7692 NPC12695
Intermediate Similarity 0.7684 NPC300205
Intermediate Similarity 0.7679 NPC158282
Intermediate Similarity 0.7679 NPC79496
Intermediate Similarity 0.7677 NPC307
Intermediate Similarity 0.7677 NPC160339
Intermediate Similarity 0.7677 NPC318107
Intermediate Similarity 0.7667 NPC295664
Intermediate Similarity 0.7664 NPC320891
Intermediate Similarity 0.7647 NPC187725
Intermediate Similarity 0.7647 NPC284475
Intermediate Similarity 0.7647 NPC68167
Intermediate Similarity 0.7647 NPC141607
Intermediate Similarity 0.7642 NPC221825
Intermediate Similarity 0.7642 NPC118343
Intermediate Similarity 0.7642 NPC325497
Intermediate Similarity 0.7636 NPC156648
Intermediate Similarity 0.7636 NPC141523
Intermediate Similarity 0.7632 NPC221275
Intermediate Similarity 0.7632 NPC274839
Intermediate Similarity 0.7632 NPC306740
Intermediate Similarity 0.7632 NPC93181
Intermediate Similarity 0.7627 NPC472981
Intermediate Similarity 0.7619 NPC240042
Intermediate Similarity 0.7619 NPC477767
Intermediate Similarity 0.7619 NPC265220
Intermediate Similarity 0.7619 NPC270654
Intermediate Similarity 0.7615 NPC209632
Intermediate Similarity 0.7604 NPC164086
Intermediate Similarity 0.7603 NPC470765
Intermediate Similarity 0.7603 NPC275576
Intermediate Similarity 0.76 NPC43945
Intermediate Similarity 0.7596 NPC472880
Intermediate Similarity 0.7596 NPC130398
Intermediate Similarity 0.7593 NPC474365
Intermediate Similarity 0.7593 NPC301943
Intermediate Similarity 0.7589 NPC133308
Intermediate Similarity 0.7586 NPC228318
Intermediate Similarity 0.7579 NPC36342
Intermediate Similarity 0.7579 NPC2785
Intermediate Similarity 0.7579 NPC285470
Intermediate Similarity 0.7576 NPC294134
Intermediate Similarity 0.757 NPC112552
Intermediate Similarity 0.757 NPC109514
Intermediate Similarity 0.757 NPC476993
Intermediate Similarity 0.7568 NPC85493
Intermediate Similarity 0.7568 NPC281604
Intermediate Similarity 0.7561 NPC229894
Intermediate Similarity 0.7547 NPC75724
Intermediate Similarity 0.7547 NPC120393
Intermediate Similarity 0.7547 NPC225060
Intermediate Similarity 0.7547 NPC271475
Intermediate Similarity 0.7544 NPC211421
Intermediate Similarity 0.7544 NPC153053
Intermediate Similarity 0.7542 NPC473243
Intermediate Similarity 0.7542 NPC232958
Intermediate Similarity 0.7541 NPC473220
Intermediate Similarity 0.7541 NPC169913
Intermediate Similarity 0.7541 NPC470753

Drug Structure

External Identifiers

TTD   DAP000623
DrugBank   DB01009
ChEMBL   CHEMBL571
IUPHAR/BPS   4795
PharmaGKB   PA450149
KEGG Drug   D00132
PubChem CID   3825
ChEBI   6128
CAS Number  22071-15-4

Drug Properties

Molecular Weight  254.09
ALogP  -0.2088
MLogP  2.89
XLogP  4.988
HDA  3
HBD  1
Rotatable Bonds  6
TPSA  54.37
RO5 Violation  0