Drug Information

Drug ID:  NPD1246
Drug Name:  Tiaprofenic Acid
Molecular Formula:  C14H12O3S
Canonical SMILES:  OC(=O)C(c1ccc(s1)C(=O)c1ccccc1)C
Standard InCHI:  InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
Standard InCHIKey:  GUHPRPJDBZHYCJ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1246

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
Intermediate Similarity 0.7788 NPC329556
Intermediate Similarity 0.7698 NPC475082
Intermediate Similarity 0.7685 NPC110704
Intermediate Similarity 0.7544 NPC25458
Intermediate Similarity 0.7477 NPC322387
Intermediate Similarity 0.7411 NPC175376
Intermediate Similarity 0.7391 NPC304873
Intermediate Similarity 0.7368 NPC217621
Intermediate Similarity 0.7288 NPC37914
Intermediate Similarity 0.7281 NPC229242
Intermediate Similarity 0.7273 NPC70940
Intermediate Similarity 0.7273 NPC274455
Intermediate Similarity 0.7273 NPC86670
Intermediate Similarity 0.7265 NPC329282
Intermediate Similarity 0.7264 NPC285773
Intermediate Similarity 0.7248 NPC329064
Intermediate Similarity 0.7203 NPC105899
Intermediate Similarity 0.7193 NPC253423
Intermediate Similarity 0.7179 NPC255676
Intermediate Similarity 0.7155 NPC473325
Intermediate Similarity 0.713 NPC95965
Intermediate Similarity 0.7117 NPC62765
Intermediate Similarity 0.7083 NPC249811
Intermediate Similarity 0.7034 NPC274443
Intermediate Similarity 0.7016 NPC471721
Remote Similarity 0.6992 NPC66208
Remote Similarity 0.6981 NPC127343
Remote Similarity 0.6981 NPC190567
Remote Similarity 0.6975 NPC249067
Remote Similarity 0.696 NPC476357
Remote Similarity 0.6957 NPC261947
Remote Similarity 0.6957 NPC61944
Remote Similarity 0.6949 NPC320891
Remote Similarity 0.6949 NPC244427
Remote Similarity 0.6949 NPC284477
Remote Similarity 0.6949 NPC222390
Remote Similarity 0.6944 NPC288903
Remote Similarity 0.6944 NPC44830
Remote Similarity 0.6944 NPC307163
Remote Similarity 0.693 NPC261181
Remote Similarity 0.6923 NPC228435
Remote Similarity 0.6917 NPC172483
Remote Similarity 0.6917 NPC134120
Remote Similarity 0.6909 NPC318107
Remote Similarity 0.6897 NPC156021
Remote Similarity 0.6891 NPC247976
Remote Similarity 0.6887 NPC300205
Remote Similarity 0.6885 NPC318327
Remote Similarity 0.6885 NPC83628
Remote Similarity 0.6885 NPC265407
Remote Similarity 0.6871 NPC85059
Remote Similarity 0.687 NPC130398
Remote Similarity 0.687 NPC172925
Remote Similarity 0.6864 NPC282895
Remote Similarity 0.686 NPC185763
Remote Similarity 0.686 NPC37622
Remote Similarity 0.686 NPC30594
Remote Similarity 0.686 NPC83409
Remote Similarity 0.6838 NPC225060
Remote Similarity 0.6825 NPC186933
Remote Similarity 0.6822 NPC164086
Remote Similarity 0.6818 NPC294134
Remote Similarity 0.6814 NPC84288
Remote Similarity 0.68 NPC93287
Remote Similarity 0.6797 NPC145990
Remote Similarity 0.6792 NPC285470
Remote Similarity 0.6792 NPC2785
Remote Similarity 0.6792 NPC36342
Remote Similarity 0.6789 NPC273758
Remote Similarity 0.6783 NPC34243
Remote Similarity 0.678 NPC146351
Remote Similarity 0.678 NPC325497
Remote Similarity 0.6774 NPC474057
Remote Similarity 0.6759 NPC145053
Remote Similarity 0.6759 NPC12936
Remote Similarity 0.6759 NPC273033
Remote Similarity 0.6754 NPC317645
Remote Similarity 0.6752 NPC249912
Remote Similarity 0.6752 NPC289201
Remote Similarity 0.6752 NPC276775
Remote Similarity 0.6752 NPC92754
Remote Similarity 0.675 NPC301943
Remote Similarity 0.675 NPC474365
Remote Similarity 0.6748 NPC85493
Remote Similarity 0.6727 NPC470794
Remote Similarity 0.6723 NPC42211
Remote Similarity 0.6721 NPC100767
Remote Similarity 0.672 NPC158282
Remote Similarity 0.672 NPC292834
Remote Similarity 0.6719 NPC158157
Remote Similarity 0.6698 NPC245966
Remote Similarity 0.6696 NPC69057
Remote Similarity 0.6695 NPC78701
Remote Similarity 0.6695 NPC35448
Remote Similarity 0.6694 NPC95172
Remote Similarity 0.6693 NPC32356
Remote Similarity 0.6692 NPC472708
Remote Similarity 0.6667 NPC34715
Remote Similarity 0.6667 NPC71664
Remote Similarity 0.6667 NPC141523
Remote Similarity 0.6667 NPC112903
Remote Similarity 0.6667 NPC156648
Remote Similarity 0.6667 NPC24122
Remote Similarity 0.6667 NPC475978
Remote Similarity 0.6667 NPC45613
Remote Similarity 0.6667 NPC160199
Remote Similarity 0.6667 NPC226699
Remote Similarity 0.6667 NPC474820
Remote Similarity 0.664 NPC210089
Remote Similarity 0.664 NPC260818
Remote Similarity 0.664 NPC476003
Remote Similarity 0.6639 NPC209632
Remote Similarity 0.6639 NPC203925
Remote Similarity 0.6639 NPC118343
Remote Similarity 0.6637 NPC477704
Remote Similarity 0.6637 NPC477693
Remote Similarity 0.6614 NPC474363
Remote Similarity 0.6614 NPC153053
Remote Similarity 0.6614 NPC211421
Remote Similarity 0.6614 NPC307651
Remote Similarity 0.6613 NPC281604
Remote Similarity 0.6613 NPC224584
Remote Similarity 0.6613 NPC469636
Remote Similarity 0.6612 NPC89886
Remote Similarity 0.661 NPC270654
Remote Similarity 0.661 NPC240042
Remote Similarity 0.661 NPC477767
Remote Similarity 0.6587 NPC321852
Remote Similarity 0.6587 NPC186128
Remote Similarity 0.6585 NPC6984
Remote Similarity 0.6583 NPC94487
Remote Similarity 0.6583 NPC70624
Remote Similarity 0.6583 NPC112552
Remote Similarity 0.6579 NPC9822
Remote Similarity 0.6567 NPC318067
Remote Similarity 0.6565 NPC204784
Remote Similarity 0.6562 NPC274839
Remote Similarity 0.6557 NPC114594
Remote Similarity 0.6557 NPC31786
Remote Similarity 0.6557 NPC19136
Remote Similarity 0.6555 NPC160548
Remote Similarity 0.6555 NPC210529
Remote Similarity 0.6555 NPC317280
Remote Similarity 0.6555 NPC329387
Remote Similarity 0.6555 NPC175852
Remote Similarity 0.6547 NPC130655
Remote Similarity 0.6541 NPC269923
Remote Similarity 0.6541 NPC167323
Remote Similarity 0.6538 NPC94425
Remote Similarity 0.6535 NPC128368
Remote Similarity 0.6535 NPC143768
Remote Similarity 0.6535 NPC272524
Remote Similarity 0.6535 NPC17693
Remote Similarity 0.6532 NPC203732
Remote Similarity 0.6532 NPC211439
Remote Similarity 0.6529 NPC188895
Remote Similarity 0.6525 NPC12695
Remote Similarity 0.6522 NPC185501
Remote Similarity 0.6512 NPC322197
Remote Similarity 0.6508 NPC265513
Remote Similarity 0.6493 NPC68167
Remote Similarity 0.6491 NPC157778
Remote Similarity 0.6489 NPC161943
Remote Similarity 0.6489 NPC318173
Remote Similarity 0.6489 NPC273282
Remote Similarity 0.6489 NPC474890
Remote Similarity 0.6486 NPC270507
Remote Similarity 0.6484 NPC196673
Remote Similarity 0.6484 NPC237366
Remote Similarity 0.6484 NPC242136
Remote Similarity 0.648 NPC474364
Remote Similarity 0.648 NPC17525
Remote Similarity 0.648 NPC99846
Remote Similarity 0.648 NPC269023
Remote Similarity 0.6475 NPC160382
Remote Similarity 0.6475 NPC291426
Remote Similarity 0.6466 NPC133461
Remote Similarity 0.6466 NPC476484
Remote Similarity 0.6466 NPC187725
Remote Similarity 0.6466 NPC141607
Remote Similarity 0.6466 NPC86987
Remote Similarity 0.6462 NPC83718
Remote Similarity 0.646 NPC160339
Remote Similarity 0.646 NPC148231
Remote Similarity 0.646 NPC307
Remote Similarity 0.6457 NPC280789
Remote Similarity 0.6457 NPC474314
Remote Similarity 0.6457 NPC270699
Remote Similarity 0.6457 NPC218855
Remote Similarity 0.6457 NPC82899
Remote Similarity 0.6455 NPC73978
Remote Similarity 0.6452 NPC244933
Remote Similarity 0.6452 NPC85560
Remote Similarity 0.6452 NPC184658
Remote Similarity 0.6452 NPC187913
Remote Similarity 0.6452 NPC119271
Remote Similarity 0.6449 NPC477432
Remote Similarity 0.6446 NPC264728
Remote Similarity 0.6446 NPC225079
Remote Similarity 0.6446 NPC52472

Drug Structure

External Identifiers

TTD   DAP000973
DrugBank   DB01600
ChEMBL   CHEMBL365795
IUPHAR/BPS  
PharmaGKB   PA164764503
KEGG Drug  
PubChem CID   5468
ChEBI   32221
CAS Number  33005-95-7

Drug Properties

Molecular Weight  260.05
ALogP  0.3818
MLogP  2.56
XLogP  3.889
HDA  3
HBD  1
Rotatable Bonds  6
TPSA  82.61
RO5 Violation  0