Drug Information

Drug ID:  NPD1631
Drug Name:  Tolmetin
Molecular Formula:  C15H15NO3
Canonical SMILES:  OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C
Standard InCHI:  InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)
Standard InCHIKey:  UPSPUYADGBWSHF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1631

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 0.7977 NPC159125
Intermediate Similarity 0.7964 NPC41717
Intermediate Similarity 0.7831 NPC322644
Intermediate Similarity 0.7829 NPC207851
Intermediate Similarity 0.7784 NPC241025
Intermediate Similarity 0.7784 NPC295158
Intermediate Similarity 0.773 NPC57398
Intermediate Similarity 0.7722 NPC472292
Intermediate Similarity 0.7692 NPC472293
Intermediate Similarity 0.768 NPC472295
Intermediate Similarity 0.768 NPC269886
Intermediate Similarity 0.768 NPC247735
Intermediate Similarity 0.768 NPC81802
Intermediate Similarity 0.768 NPC472210
Intermediate Similarity 0.7676 NPC471944
Intermediate Similarity 0.7609 NPC472284
Intermediate Similarity 0.7602 NPC470894
Intermediate Similarity 0.7602 NPC70949
Intermediate Similarity 0.7598 NPC278434
Intermediate Similarity 0.7596 NPC472116
Intermediate Similarity 0.7588 NPC115232
Intermediate Similarity 0.7584 NPC282103
Intermediate Similarity 0.7568 NPC472297
Intermediate Similarity 0.7568 NPC472296
Intermediate Similarity 0.756 NPC80681
Intermediate Similarity 0.7543 NPC111275
Intermediate Similarity 0.7514 NPC83111
Intermediate Similarity 0.7514 NPC474916
Intermediate Similarity 0.75 NPC472323
Intermediate Similarity 0.75 NPC55772
Intermediate Similarity 0.75 NPC85443
Intermediate Similarity 0.75 NPC206186
Intermediate Similarity 0.7473 NPC81535
Intermediate Similarity 0.747 NPC217021
Intermediate Similarity 0.747 NPC470679
Intermediate Similarity 0.7459 NPC141454
Intermediate Similarity 0.7458 NPC15840
Intermediate Similarity 0.7446 NPC202812
Intermediate Similarity 0.743 NPC285923
Intermediate Similarity 0.7429 NPC469529
Intermediate Similarity 0.7421 NPC472287
Intermediate Similarity 0.7421 NPC472286
Intermediate Similarity 0.7418 NPC154339
Intermediate Similarity 0.7416 NPC113626
Intermediate Similarity 0.7414 NPC273532
Intermediate Similarity 0.7407 NPC165599
Intermediate Similarity 0.7401 NPC248041
Intermediate Similarity 0.7401 NPC219336
Intermediate Similarity 0.7401 NPC126709
Intermediate Similarity 0.7399 NPC78020
Intermediate Similarity 0.7391 NPC267343
Intermediate Similarity 0.7386 NPC267885
Intermediate Similarity 0.7377 NPC138370
Intermediate Similarity 0.736 NPC73994
Intermediate Similarity 0.7345 NPC183662
Intermediate Similarity 0.7345 NPC15573
Intermediate Similarity 0.7345 NPC217372
Intermediate Similarity 0.7341 NPC114637
Intermediate Similarity 0.7333 NPC46895
Intermediate Similarity 0.733 NPC469938
Intermediate Similarity 0.733 NPC149155
Intermediate Similarity 0.733 NPC203468
Intermediate Similarity 0.733 NPC110500
Intermediate Similarity 0.733 NPC139763
Intermediate Similarity 0.7305 NPC473878
Intermediate Similarity 0.7303 NPC283219
Intermediate Similarity 0.7289 NPC100726
Intermediate Similarity 0.7288 NPC151635
Intermediate Similarity 0.7283 NPC71132
Intermediate Similarity 0.7278 NPC243058
Intermediate Similarity 0.7278 NPC143533
Intermediate Similarity 0.7273 NPC78767
Intermediate Similarity 0.7273 NPC473814
Intermediate Similarity 0.7268 NPC221873
Intermediate Similarity 0.7267 NPC242116
Intermediate Similarity 0.7267 NPC214106
Intermediate Similarity 0.7263 NPC61011
Intermediate Similarity 0.7258 NPC93390
Intermediate Similarity 0.7253 NPC160381
Intermediate Similarity 0.7247 NPC219848
Intermediate Similarity 0.7247 NPC234987
Intermediate Similarity 0.7247 NPC84827
Intermediate Similarity 0.7247 NPC145885
Intermediate Similarity 0.7247 NPC14113
Intermediate Similarity 0.7238 NPC258480
Intermediate Similarity 0.7238 NPC203635
Intermediate Similarity 0.7232 NPC303225
Intermediate Similarity 0.7229 NPC302159
Intermediate Similarity 0.7225 NPC265100
Intermediate Similarity 0.7219 NPC312860
Intermediate Similarity 0.7207 NPC248462
Intermediate Similarity 0.7207 NPC256268
Intermediate Similarity 0.7202 NPC244741
Intermediate Similarity 0.7196 NPC123395
Intermediate Similarity 0.7195 NPC101130
Intermediate Similarity 0.7195 NPC114033
Intermediate Similarity 0.7195 NPC129412
Intermediate Similarity 0.7195 NPC58268
Intermediate Similarity 0.7191 NPC84347
Intermediate Similarity 0.7188 NPC132539
Intermediate Similarity 0.7188 NPC477043
Intermediate Similarity 0.7175 NPC252572
Intermediate Similarity 0.7175 NPC191310
Intermediate Similarity 0.7175 NPC477976
Intermediate Similarity 0.7166 NPC289299
Intermediate Similarity 0.7166 NPC57994
Intermediate Similarity 0.716 NPC472288
Intermediate Similarity 0.716 NPC70406
Intermediate Similarity 0.716 NPC472260
Intermediate Similarity 0.7158 NPC315555
Intermediate Similarity 0.7158 NPC235684
Intermediate Similarity 0.7158 NPC90415
Intermediate Similarity 0.7151 NPC67551
Intermediate Similarity 0.7151 NPC83774
Intermediate Similarity 0.7143 NPC477041
Intermediate Similarity 0.7143 NPC477003
Intermediate Similarity 0.7143 NPC477044
Intermediate Similarity 0.7143 NPC472119
Intermediate Similarity 0.7135 NPC144381
Intermediate Similarity 0.7128 NPC79356
Intermediate Similarity 0.7128 NPC102592
Intermediate Similarity 0.7125 NPC322488
Intermediate Similarity 0.7118 NPC281094
Intermediate Similarity 0.7118 NPC251391
Intermediate Similarity 0.7117 NPC472243
Intermediate Similarity 0.7113 NPC321428
Intermediate Similarity 0.7112 NPC230403
Intermediate Similarity 0.7111 NPC213468
Intermediate Similarity 0.711 NPC100104
Intermediate Similarity 0.711 NPC470680
Intermediate Similarity 0.7108 NPC159630
Intermediate Similarity 0.7108 NPC230085
Intermediate Similarity 0.7104 NPC133003
Intermediate Similarity 0.7098 NPC472259
Intermediate Similarity 0.709 NPC90229
Intermediate Similarity 0.7089 NPC314431
Intermediate Similarity 0.7081 NPC209917
Intermediate Similarity 0.7076 NPC263455
Intermediate Similarity 0.7072 NPC477042
Intermediate Similarity 0.7072 NPC469896
Intermediate Similarity 0.7071 NPC89508
Intermediate Similarity 0.7066 NPC167400
Intermediate Similarity 0.7065 NPC194040
Intermediate Similarity 0.7065 NPC66210
Intermediate Similarity 0.7062 NPC471943
Intermediate Similarity 0.7059 NPC109158
Intermediate Similarity 0.7056 NPC157583
Intermediate Similarity 0.7056 NPC82370
Intermediate Similarity 0.7056 NPC284775
Intermediate Similarity 0.7056 NPC64436
Intermediate Similarity 0.7056 NPC146418
Intermediate Similarity 0.7053 NPC248782
Intermediate Similarity 0.7053 NPC102008
Intermediate Similarity 0.705 NPC472285
Intermediate Similarity 0.7043 NPC469489
Intermediate Similarity 0.7043 NPC329858
Intermediate Similarity 0.7043 NPC314333
Intermediate Similarity 0.7043 NPC324091
Intermediate Similarity 0.7037 NPC245916
Intermediate Similarity 0.7033 NPC191415
Intermediate Similarity 0.7031 NPC98864
Intermediate Similarity 0.703 NPC238499
Intermediate Similarity 0.7022 NPC249614
Intermediate Similarity 0.7021 NPC473821
Intermediate Similarity 0.7017 NPC164340
Intermediate Similarity 0.7016 NPC477045
Intermediate Similarity 0.7011 NPC476423
Intermediate Similarity 0.701 NPC229893
Intermediate Similarity 0.7 NPC313889
Intermediate Similarity 0.7 NPC74153
Intermediate Similarity 0.7 NPC227582
Remote Similarity 0.6995 NPC328318
Remote Similarity 0.6995 NPC328596
Remote Similarity 0.6994 NPC200397
Remote Similarity 0.6994 NPC98156
Remote Similarity 0.6994 NPC138596
Remote Similarity 0.6994 NPC64661
Remote Similarity 0.6994 NPC195704
Remote Similarity 0.6994 NPC167200
Remote Similarity 0.6994 NPC76982
Remote Similarity 0.6994 NPC292434
Remote Similarity 0.6994 NPC14448
Remote Similarity 0.699 NPC266249
Remote Similarity 0.699 NPC39679
Remote Similarity 0.6989 NPC175474
Remote Similarity 0.6989 NPC183805
Remote Similarity 0.6985 NPC472291
Remote Similarity 0.6982 NPC300596
Remote Similarity 0.6982 NPC237649
Remote Similarity 0.6978 NPC471997
Remote Similarity 0.6977 NPC209362
Remote Similarity 0.6973 NPC62749
Remote Similarity 0.6973 NPC118084
Remote Similarity 0.6973 NPC478077
Remote Similarity 0.6968 NPC55493
Remote Similarity 0.6965 NPC312645
Remote Similarity 0.6964 NPC478039
Remote Similarity 0.6964 NPC467188
Remote Similarity 0.6963 NPC306376
Remote Similarity 0.6963 NPC149708

Drug Structure

External Identifiers

TTD   DAP000777
DrugBank   DB00500
ChEMBL   CHEMBL1020
IUPHAR/BPS   7311
PharmaGKB   PA451721
KEGG Drug  
PubChem CID   5509
ChEBI   71941
CAS Number  26171-23-3

Drug Properties

Molecular Weight  257.11
ALogP  0.2887
MLogP  2.67
XLogP  3.634
HDA  4
HBD  1
Rotatable Bonds  7
TPSA  59.3
RO5 Violation  0