Drug Information

Drug ID:  NPD989
Drug Name:  Pirprofen
Molecular Formula:  C13H14ClNO2
Canonical SMILES:  CC(c1ccc(c(c1)Cl)N1CC=CC1)C(=O)O
Standard InCHI:  InChI=1S/C13H14ClNO2/c1-9(13(16)17)10-4-5-12(11(14)8-10)15-6-2-3-7-15/h2-5,8-9H,6-7H2,1H3,(H,16,17)
Standard InCHIKey:  PIDSZXPFGCURGN-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD989

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 0.7379 NPC314098
Intermediate Similarity 0.7153 NPC472244
Intermediate Similarity 0.7153 NPC470343
Intermediate Similarity 0.7086 NPC287358
Intermediate Similarity 0.7083 NPC317758
Remote Similarity 0.6959 NPC314431
Remote Similarity 0.6887 NPC253476
Remote Similarity 0.6883 NPC315051
Remote Similarity 0.6883 NPC472243
Remote Similarity 0.6815 NPC476198
Remote Similarity 0.6812 NPC313981
Remote Similarity 0.6731 NPC43477
Remote Similarity 0.673 NPC478039
Remote Similarity 0.6689 NPC205946
Remote Similarity 0.6688 NPC472241
Remote Similarity 0.6667 NPC150863
Remote Similarity 0.6667 NPC242933
Remote Similarity 0.6667 NPC57051
Remote Similarity 0.6627 NPC36495
Remote Similarity 0.6623 NPC280807
Remote Similarity 0.6623 NPC472245
Remote Similarity 0.6621 NPC226143
Remote Similarity 0.661 NPC316141
Remote Similarity 0.6587 NPC201424
Remote Similarity 0.6587 NPC474058
Remote Similarity 0.6566 NPC211525
Remote Similarity 0.6566 NPC153694
Remote Similarity 0.6562 NPC472242
Remote Similarity 0.6529 NPC472115
Remote Similarity 0.6529 NPC472114
Remote Similarity 0.6527 NPC243673
Remote Similarity 0.6527 NPC148468
Remote Similarity 0.6527 NPC97380
Remote Similarity 0.6527 NPC310403
Remote Similarity 0.6527 NPC263709
Remote Similarity 0.6527 NPC63210
Remote Similarity 0.6516 NPC173295
Remote Similarity 0.6503 NPC471318
Remote Similarity 0.65 NPC314186
Remote Similarity 0.6474 NPC325599
Remote Similarity 0.6467 NPC474926
Remote Similarity 0.6463 NPC150323
Remote Similarity 0.6452 NPC313352
Remote Similarity 0.645 NPC476231
Remote Similarity 0.6433 NPC278887
Remote Similarity 0.6424 NPC322433
Remote Similarity 0.6395 NPC291962
Remote Similarity 0.6395 NPC177684
Remote Similarity 0.6392 NPC319645
Remote Similarity 0.6389 NPC470550
Remote Similarity 0.6386 NPC478076
Remote Similarity 0.6376 NPC291027
Remote Similarity 0.6376 NPC213126
Remote Similarity 0.6376 NPC317474
Remote Similarity 0.6376 NPC84281
Remote Similarity 0.6376 NPC169485
Remote Similarity 0.6374 NPC470069
Remote Similarity 0.6374 NPC52059
Remote Similarity 0.6351 NPC161956
Remote Similarity 0.6351 NPC112373
Remote Similarity 0.6351 NPC258531
Remote Similarity 0.6347 NPC161827
Remote Similarity 0.6331 NPC193410
Remote Similarity 0.6331 NPC471122
Remote Similarity 0.6327 NPC229353
Remote Similarity 0.6327 NPC228515
Remote Similarity 0.631 NPC29285
Remote Similarity 0.6309 NPC257490
Remote Similarity 0.6307 NPC476441
Remote Similarity 0.6304 NPC178681
Remote Similarity 0.6294 NPC472102
Remote Similarity 0.6294 NPC248117
Remote Similarity 0.6294 NPC225319
Remote Similarity 0.6294 NPC315368
Remote Similarity 0.6294 NPC309531
Remote Similarity 0.6275 NPC58827
Remote Similarity 0.6275 NPC307437
Remote Similarity 0.6275 NPC72473
Remote Similarity 0.6272 NPC61013
Remote Similarity 0.6272 NPC123241
Remote Similarity 0.6268 NPC158854
Remote Similarity 0.6265 NPC314223
Remote Similarity 0.6257 NPC99632
Remote Similarity 0.6257 NPC282339
Remote Similarity 0.6257 NPC472101
Remote Similarity 0.6257 NPC472120
Remote Similarity 0.6257 NPC472117
Remote Similarity 0.625 NPC473297
Remote Similarity 0.625 NPC322598
Remote Similarity 0.6242 NPC130931
Remote Similarity 0.6242 NPC316582
Remote Similarity 0.6242 NPC237649
Remote Similarity 0.6242 NPC300596
Remote Similarity 0.6236 NPC321211
Remote Similarity 0.6235 NPC478040
Remote Similarity 0.6231 NPC322387
Remote Similarity 0.6226 NPC316906
Remote Similarity 0.6221 NPC313757
Remote Similarity 0.6214 NPC67043
Remote Similarity 0.6209 NPC314278
Remote Similarity 0.6205 NPC144691
Remote Similarity 0.6204 NPC12730
Remote Similarity 0.6204 NPC75496
Remote Similarity 0.6199 NPC143457
Remote Similarity 0.6199 NPC27904
Remote Similarity 0.6193 NPC293255
Remote Similarity 0.6193 NPC21752
Remote Similarity 0.6193 NPC298851
Remote Similarity 0.6193 NPC181138
Remote Similarity 0.6193 NPC276993
Remote Similarity 0.6193 NPC210415
Remote Similarity 0.6188 NPC469560
Remote Similarity 0.6185 NPC471124
Remote Similarity 0.6185 NPC472106
Remote Similarity 0.6164 NPC471123
Remote Similarity 0.6163 NPC293458
Remote Similarity 0.6163 NPC199737
Remote Similarity 0.6159 NPC39818
Remote Similarity 0.6158 NPC13367
Remote Similarity 0.6145 NPC99043
Remote Similarity 0.6145 NPC218594
Remote Similarity 0.6145 NPC242000
Remote Similarity 0.6139 NPC184437
Remote Similarity 0.6136 NPC318183
Remote Similarity 0.6135 NPC308197
Remote Similarity 0.6133 NPC317564
Remote Similarity 0.6133 NPC470317
Remote Similarity 0.612 NPC282092
Remote Similarity 0.6115 NPC48909
Remote Similarity 0.6114 NPC224970
Remote Similarity 0.6114 NPC473484
Remote Similarity 0.6114 NPC167724
Remote Similarity 0.6114 NPC223595
Remote Similarity 0.6104 NPC250476
Remote Similarity 0.6102 NPC476425
Remote Similarity 0.6091 NPC204303
Remote Similarity 0.609 NPC477432
Remote Similarity 0.609 NPC86670
Remote Similarity 0.609 NPC187231
Remote Similarity 0.609 NPC274455
Remote Similarity 0.609 NPC194562
Remote Similarity 0.609 NPC69496
Remote Similarity 0.609 NPC70940
Remote Similarity 0.6089 NPC111275
Remote Similarity 0.6087 NPC315224
Remote Similarity 0.6084 NPC212799
Remote Similarity 0.6082 NPC113946
Remote Similarity 0.608 NPC472118
Remote Similarity 0.6078 NPC226794
Remote Similarity 0.6077 NPC475962
Remote Similarity 0.6071 NPC471310
Remote Similarity 0.6071 NPC291426
Remote Similarity 0.6071 NPC154602
Remote Similarity 0.6069 NPC35510
Remote Similarity 0.6069 NPC472121
Remote Similarity 0.6069 NPC176983
Remote Similarity 0.6069 NPC253667
Remote Similarity 0.6069 NPC286871
Remote Similarity 0.6066 NPC52262
Remote Similarity 0.6066 NPC322621
Remote Similarity 0.6058 NPC10781
Remote Similarity 0.6058 NPC293628
Remote Similarity 0.6058 NPC122493
Remote Similarity 0.6054 NPC205652
Remote Similarity 0.6054 NPC113099
Remote Similarity 0.6051 NPC231382
Remote Similarity 0.6051 NPC316746
Remote Similarity 0.6038 NPC322488
Remote Similarity 0.6036 NPC285381
Remote Similarity 0.6034 NPC189116
Remote Similarity 0.6034 NPC204867
Remote Similarity 0.6034 NPC129624
Remote Similarity 0.6026 NPC279385
Remote Similarity 0.6026 NPC179605
Remote Similarity 0.6025 NPC122553
Remote Similarity 0.6024 NPC146370
Remote Similarity 0.6023 NPC470971
Remote Similarity 0.6023 NPC78020
Remote Similarity 0.6013 NPC476689
Remote Similarity 0.6013 NPC476685
Remote Similarity 0.6013 NPC476687
Remote Similarity 0.6012 NPC471164
Remote Similarity 0.6012 NPC470301
Remote Similarity 0.6011 NPC97584
Remote Similarity 0.5989 NPC476428
Remote Similarity 0.5988 NPC104345
Remote Similarity 0.5988 NPC471312
Remote Similarity 0.5987 NPC103292
Remote Similarity 0.5978 NPC470548
Remote Similarity 0.5975 NPC233910
Remote Similarity 0.5975 NPC245836
Remote Similarity 0.5974 NPC192533
Remote Similarity 0.5973 NPC147957
Remote Similarity 0.5967 NPC213468
Remote Similarity 0.5966 NPC41717
Remote Similarity 0.5957 NPC471317
Remote Similarity 0.5957 NPC164859
Remote Similarity 0.5955 NPC474814
Remote Similarity 0.5955 NPC112336
Remote Similarity 0.5955 NPC355

Drug Structure

External Identifiers

TTD   DIB014311
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  251.07
ALogP  1.3035
MLogP  2.45
XLogP  2.403
HDA  3
HBD  1
Rotatable Bonds  6
TPSA  40.54
RO5 Violation  0