Drug Information

Drug ID:  NPD1230
Drug Name:  Tolfenamic Acid
Molecular Formula:  C14H12ClNO2
Canonical SMILES:  OC(=O)c1ccccc1Nc1cccc(c1C)Cl
Standard InCHI:  InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
Standard InCHIKey:  YEZNLOUZAIOMLT-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1230

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 0.8531 NPC253476
Intermediate Similarity 0.8188 NPC43477
Intermediate Similarity 0.8 NPC130931
Intermediate Similarity 0.7973 NPC173295
Intermediate Similarity 0.7655 NPC226794
Intermediate Similarity 0.7636 NPC182131
Intermediate Similarity 0.7532 NPC242933
Intermediate Similarity 0.7517 NPC194562
Intermediate Similarity 0.7484 NPC237649
Intermediate Similarity 0.7484 NPC300596
Intermediate Similarity 0.7468 NPC181527
Intermediate Similarity 0.7467 NPC314098
Intermediate Similarity 0.745 NPC122235
Intermediate Similarity 0.7361 NPC229353
Intermediate Similarity 0.7279 NPC268534
Intermediate Similarity 0.726 NPC150323
Intermediate Similarity 0.7257 NPC470317
Intermediate Similarity 0.725 NPC259678
Intermediate Similarity 0.7222 NPC144691
Intermediate Similarity 0.7216 NPC471742
Intermediate Similarity 0.7202 NPC189116
Intermediate Similarity 0.7186 NPC27904
Intermediate Similarity 0.7179 NPC159722
Intermediate Similarity 0.7143 NPC279385
Intermediate Similarity 0.7143 NPC179605
Intermediate Similarity 0.7133 NPC205946
Intermediate Similarity 0.7101 NPC204867
Intermediate Similarity 0.7095 NPC103292
Intermediate Similarity 0.7069 NPC471743
Intermediate Similarity 0.7017 NPC313293
Remote Similarity 0.6993 NPC209389
Remote Similarity 0.6959 NPC471130
Remote Similarity 0.6948 NPC477432
Remote Similarity 0.6941 NPC88970
Remote Similarity 0.6936 NPC471778
Remote Similarity 0.6932 NPC219848
Remote Similarity 0.6928 NPC72473
Remote Similarity 0.6928 NPC307437
Remote Similarity 0.6928 NPC58827
Remote Similarity 0.6914 NPC130797
Remote Similarity 0.6894 NPC472241
Remote Similarity 0.6893 NPC256268
Remote Similarity 0.6872 NPC243058
Remote Similarity 0.6867 NPC257490
Remote Similarity 0.6855 NPC43218
Remote Similarity 0.6854 NPC475685
Remote Similarity 0.6833 NPC203635
Remote Similarity 0.6823 NPC477999
Remote Similarity 0.6821 NPC39818
Remote Similarity 0.6784 NPC322644
Remote Similarity 0.6776 NPC254698
Remote Similarity 0.677 NPC472243
Remote Similarity 0.6768 NPC472242
Remote Similarity 0.6758 NPC90415
Remote Similarity 0.6744 NPC199737
Remote Similarity 0.6738 NPC324786
Remote Similarity 0.6733 NPC177684
Remote Similarity 0.6733 NPC291962
Remote Similarity 0.6732 NPC192533
Remote Similarity 0.6723 NPC475594
Remote Similarity 0.6721 NPC278434
Remote Similarity 0.6713 NPC172170
Remote Similarity 0.6689 NPC112373
Remote Similarity 0.6689 NPC258531
Remote Similarity 0.6689 NPC161956
Remote Similarity 0.6688 NPC470343
Remote Similarity 0.6688 NPC472244
Remote Similarity 0.6685 NPC475607
Remote Similarity 0.6667 NPC314223
Remote Similarity 0.6667 NPC298320
Remote Similarity 0.6648 NPC474081
Remote Similarity 0.6645 NPC314278
Remote Similarity 0.663 NPC473815
Remote Similarity 0.6629 NPC470548
Remote Similarity 0.661 NPC318183
Remote Similarity 0.6607 NPC241392
Remote Similarity 0.6605 NPC319645
Remote Similarity 0.6593 NPC471785
Remote Similarity 0.6591 NPC470971
Remote Similarity 0.659 NPC93653
Remote Similarity 0.6573 NPC177261
Remote Similarity 0.6562 NPC471944
Remote Similarity 0.6549 NPC291426
Remote Similarity 0.6543 NPC287358
Remote Similarity 0.6543 NPC316574
Remote Similarity 0.6541 NPC476685
Remote Similarity 0.6541 NPC476687
Remote Similarity 0.6541 NPC476689
Remote Similarity 0.6532 NPC36495
Remote Similarity 0.6527 NPC146370
Remote Similarity 0.6524 NPC2823
Remote Similarity 0.6522 NPC316141
Remote Similarity 0.6519 NPC475761
Remote Similarity 0.6519 NPC474041
Remote Similarity 0.6517 NPC112336
Remote Similarity 0.6517 NPC474814
Remote Similarity 0.6509 NPC13526
Remote Similarity 0.6508 NPC21483
Remote Similarity 0.6508 NPC198205
Remote Similarity 0.6507 NPC216122
Remote Similarity 0.6492 NPC311054
Remote Similarity 0.6492 NPC112752
Remote Similarity 0.6485 NPC301702
Remote Similarity 0.6484 NPC283810
Remote Similarity 0.6478 NPC316746
Remote Similarity 0.6477 NPC299582
Remote Similarity 0.6463 NPC314252
Remote Similarity 0.6463 NPC181526
Remote Similarity 0.646 NPC162417
Remote Similarity 0.646 NPC316104
Remote Similarity 0.6458 NPC90358
Remote Similarity 0.6458 NPC107828
Remote Similarity 0.6444 NPC303225
Remote Similarity 0.644 NPC198390
Remote Similarity 0.6436 NPC138370
Remote Similarity 0.6433 NPC250476
Remote Similarity 0.6433 NPC322433
Remote Similarity 0.6425 NPC292265
Remote Similarity 0.6424 NPC316202
Remote Similarity 0.6417 NPC477998
Remote Similarity 0.6415 NPC472245
Remote Similarity 0.6407 NPC323798
Remote Similarity 0.6398 NPC160381
Remote Similarity 0.6392 NPC176371
Remote Similarity 0.6392 NPC136573
Remote Similarity 0.6375 NPC231382
Remote Similarity 0.6374 NPC9475
Remote Similarity 0.637 NPC37584
Remote Similarity 0.6369 NPC472118
Remote Similarity 0.6364 NPC257763
Remote Similarity 0.6359 NPC288759
Remote Similarity 0.6354 NPC141454
Remote Similarity 0.6347 NPC308197
Remote Similarity 0.6339 NPC474815
Remote Similarity 0.6333 NPC126676
Remote Similarity 0.6333 NPC469671
Remote Similarity 0.633 NPC221873
Remote Similarity 0.6325 NPC471164
Remote Similarity 0.6321 NPC474916
Remote Similarity 0.6319 NPC300299
Remote Similarity 0.6316 NPC114039
Remote Similarity 0.6316 NPC206109
Remote Similarity 0.631 NPC150308
Remote Similarity 0.631 NPC194040
Remote Similarity 0.6303 NPC315224
Remote Similarity 0.6299 NPC226143
Remote Similarity 0.6296 NPC83111
Remote Similarity 0.6294 NPC313112
Remote Similarity 0.6294 NPC301292
Remote Similarity 0.6294 NPC315829
Remote Similarity 0.6276 NPC475223
Remote Similarity 0.6265 NPC315051
Remote Similarity 0.6263 NPC92803
Remote Similarity 0.6258 NPC184437
Remote Similarity 0.6257 NPC41717
Remote Similarity 0.6257 NPC282103
Remote Similarity 0.6257 NPC49184
Remote Similarity 0.625 NPC314287
Remote Similarity 0.625 NPC150863
Remote Similarity 0.625 NPC202812
Remote Similarity 0.6244 NPC475448
Remote Similarity 0.6244 NPC165599
Remote Similarity 0.6244 NPC246983
Remote Similarity 0.6243 NPC18890
Remote Similarity 0.6235 NPC478039
Remote Similarity 0.623 NPC84347
Remote Similarity 0.6225 NPC57051
Remote Similarity 0.6216 NPC85613
Remote Similarity 0.6213 NPC136002
Remote Similarity 0.6212 NPC314648
Remote Similarity 0.6211 NPC314431
Remote Similarity 0.6211 NPC280807
Remote Similarity 0.6209 NPC73280
Remote Similarity 0.6205 NPC83214
Remote Similarity 0.6203 NPC285394
Remote Similarity 0.62 NPC39679
Remote Similarity 0.6193 NPC123241
Remote Similarity 0.6193 NPC61013
Remote Similarity 0.619 NPC206186
Remote Similarity 0.6186 NPC90229
Remote Similarity 0.6181 NPC225400
Remote Similarity 0.618 NPC293458
Remote Similarity 0.618 NPC476231
Remote Similarity 0.6178 NPC203628
Remote Similarity 0.6168 NPC207554
Remote Similarity 0.6167 NPC472114
Remote Similarity 0.6167 NPC472115
Remote Similarity 0.6166 NPC476205
Remote Similarity 0.6166 NPC476129
Remote Similarity 0.6166 NPC476207
Remote Similarity 0.6166 NPC476212
Remote Similarity 0.6166 NPC259791
Remote Similarity 0.6166 NPC476206
Remote Similarity 0.6166 NPC476256
Remote Similarity 0.6166 NPC476257
Remote Similarity 0.6163 NPC242000
Remote Similarity 0.6162 NPC475094
Remote Similarity 0.6158 NPC193410
Remote Similarity 0.615 NPC243850
Remote Similarity 0.615 NPC470786

Drug Structure

External Identifiers

TTD  
DrugBank   DB09216
ChEMBL   CHEMBL121626
IUPHAR/BPS   8769
PharmaGKB  
KEGG Drug   D01183
PubChem CID  
ChEBI   32243
CAS Number  13710-19-5

Drug Properties

Molecular Weight  261.06
ALogP  0.7261
MLogP  2.56
XLogP  4.573
HDA  3
HBD  2
Rotatable Bonds  6
TPSA  49.33
RO5 Violation  0