Drug Information

Drug ID:  NPD2778
Drug Name:  Oxaprozin Potassium
Molecular Formula:  C18H15NO3.K
Canonical SMILES:  [O-]C(=O)CCc1nc(c(o1)c1ccccc1)c1ccccc1.[K+]
Standard InCHI:  InChI=1S/C18H15NO3.K/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,20,21);/q;+1/p-1
Standard InCHIKey:  QTAQWNSMRSLSCG-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2778

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 0.8333 NPC314633
Intermediate Similarity 0.8 NPC131885
Intermediate Similarity 0.7903 NPC286195
Intermediate Similarity 0.7864 NPC161801
Intermediate Similarity 0.7843 NPC38237
Intermediate Similarity 0.7833 NPC269367
Intermediate Similarity 0.7804 NPC196718
Intermediate Similarity 0.7725 NPC205372
Intermediate Similarity 0.7721 NPC102593
Intermediate Similarity 0.7718 NPC39500
Intermediate Similarity 0.77 NPC140296
Intermediate Similarity 0.7681 NPC16066
Intermediate Similarity 0.7614 NPC230403
Intermediate Similarity 0.7585 NPC474428
Intermediate Similarity 0.7571 NPC184408
Intermediate Similarity 0.7536 NPC288987
Intermediate Similarity 0.7536 NPC298436
Intermediate Similarity 0.7525 NPC475190
Intermediate Similarity 0.7512 NPC144452
Intermediate Similarity 0.7512 NPC321428
Intermediate Similarity 0.75 NPC477589
Intermediate Similarity 0.75 NPC477587
Intermediate Similarity 0.7452 NPC187501
Intermediate Similarity 0.7452 NPC146418
Intermediate Similarity 0.7446 NPC185197
Intermediate Similarity 0.7432 NPC477588
Intermediate Similarity 0.7432 NPC477590
Intermediate Similarity 0.7432 NPC477585
Intermediate Similarity 0.7432 NPC477586
Intermediate Similarity 0.7422 NPC72715
Intermediate Similarity 0.7409 NPC34770
Intermediate Similarity 0.7398 NPC194040
Intermediate Similarity 0.7387 NPC469961
Intermediate Similarity 0.7382 NPC230683
Intermediate Similarity 0.7379 NPC300156
Intermediate Similarity 0.7374 NPC144381
Intermediate Similarity 0.7361 NPC97746
Intermediate Similarity 0.7352 NPC474688
Intermediate Similarity 0.7349 NPC216612
Intermediate Similarity 0.734 NPC220408
Intermediate Similarity 0.7339 NPC274640
Intermediate Similarity 0.7299 NPC324361
Intermediate Similarity 0.7289 NPC166712
Intermediate Similarity 0.7264 NPC118228
Intermediate Similarity 0.726 NPC4687
Intermediate Similarity 0.7257 NPC208364
Intermediate Similarity 0.7256 NPC225279
Intermediate Similarity 0.7243 NPC174576
Intermediate Similarity 0.7222 NPC280799
Intermediate Similarity 0.7209 NPC208084
Intermediate Similarity 0.7207 NPC329631
Intermediate Similarity 0.7202 NPC303225
Intermediate Similarity 0.7196 NPC223189
Intermediate Similarity 0.7193 NPC58209
Intermediate Similarity 0.7188 NPC240384
Intermediate Similarity 0.7181 NPC160100
Intermediate Similarity 0.7181 NPC322644
Intermediate Similarity 0.7176 NPC323969
Intermediate Similarity 0.7174 NPC165964
Intermediate Similarity 0.7173 NPC470894
Intermediate Similarity 0.7165 NPC84347
Intermediate Similarity 0.7136 NPC232225
Intermediate Similarity 0.713 NPC173250
Intermediate Similarity 0.7129 NPC45190
Intermediate Similarity 0.7123 NPC87413
Intermediate Similarity 0.7117 NPC217176
Intermediate Similarity 0.71 NPC203373
Intermediate Similarity 0.7093 NPC475844
Intermediate Similarity 0.7093 NPC148889
Intermediate Similarity 0.7087 NPC280714
Intermediate Similarity 0.7081 NPC132539
Intermediate Similarity 0.7078 NPC51388
Intermediate Similarity 0.7073 NPC314222
Intermediate Similarity 0.7073 NPC196449
Intermediate Similarity 0.7062 NPC287208
Intermediate Similarity 0.7062 NPC470280
Intermediate Similarity 0.7059 NPC257851
Intermediate Similarity 0.7037 NPC169402
Intermediate Similarity 0.7023 NPC477979
Intermediate Similarity 0.7023 NPC116238
Intermediate Similarity 0.702 NPC474798
Intermediate Similarity 0.7017 NPC209981
Intermediate Similarity 0.7016 NPC118511
Intermediate Similarity 0.7014 NPC193238
Intermediate Similarity 0.7014 NPC249583
Intermediate Similarity 0.7 NPC470042
Remote Similarity 0.6995 NPC470020
Remote Similarity 0.6984 NPC26850
Remote Similarity 0.6974 NPC168922
Remote Similarity 0.6968 NPC179287
Remote Similarity 0.6965 NPC160381
Remote Similarity 0.6964 NPC474701
Remote Similarity 0.6964 NPC260434
Remote Similarity 0.6951 NPC194740
Remote Similarity 0.6949 NPC120513
Remote Similarity 0.6947 NPC39370
Remote Similarity 0.6944 NPC146976
Remote Similarity 0.6933 NPC473186
Remote Similarity 0.6915 NPC282103
Remote Similarity 0.6909 NPC198503
Remote Similarity 0.6905 NPC295898
Remote Similarity 0.6901 NPC39679
Remote Similarity 0.6898 NPC236668
Remote Similarity 0.6897 NPC242928
Remote Similarity 0.6887 NPC472287
Remote Similarity 0.6887 NPC472286
Remote Similarity 0.6883 NPC316224
Remote Similarity 0.6883 NPC188400
Remote Similarity 0.6881 NPC312645
Remote Similarity 0.6875 NPC112937
Remote Similarity 0.6864 NPC174760
Remote Similarity 0.6857 NPC470586
Remote Similarity 0.6854 NPC283117
Remote Similarity 0.6854 NPC243850
Remote Similarity 0.6852 NPC472098
Remote Similarity 0.6852 NPC310211
Remote Similarity 0.6852 NPC308137
Remote Similarity 0.6847 NPC94842
Remote Similarity 0.6847 NPC322482
Remote Similarity 0.684 NPC72905
Remote Similarity 0.684 NPC124300
Remote Similarity 0.683 NPC157931
Remote Similarity 0.6825 NPC26872
Remote Similarity 0.682 NPC89508
Remote Similarity 0.682 NPC476287
Remote Similarity 0.6814 NPC221873
Remote Similarity 0.681 NPC291609
Remote Similarity 0.681 NPC142385
Remote Similarity 0.6807 NPC318068
Remote Similarity 0.6806 NPC294375
Remote Similarity 0.6802 NPC478141
Remote Similarity 0.6798 NPC182222
Remote Similarity 0.6798 NPC253675
Remote Similarity 0.6797 NPC49672
Remote Similarity 0.6795 NPC1608
Remote Similarity 0.6792 NPC317572
Remote Similarity 0.6789 NPC50562
Remote Similarity 0.6788 NPC257763
Remote Similarity 0.6786 NPC470018
Remote Similarity 0.6778 NPC258048
Remote Similarity 0.6777 NPC471944
Remote Similarity 0.6774 NPC118940
Remote Similarity 0.6773 NPC46561
Remote Similarity 0.6766 NPC206201
Remote Similarity 0.6762 NPC128823
Remote Similarity 0.6761 NPC470930
Remote Similarity 0.6759 NPC123839
Remote Similarity 0.6758 NPC67658
Remote Similarity 0.6756 NPC186351
Remote Similarity 0.6756 NPC74575
Remote Similarity 0.6754 NPC141053
Remote Similarity 0.6752 NPC310618
Remote Similarity 0.675 NPC472168
Remote Similarity 0.675 NPC129897
Remote Similarity 0.6749 NPC241025
Remote Similarity 0.6748 NPC138370
Remote Similarity 0.6746 NPC141454
Remote Similarity 0.6746 NPC267928
Remote Similarity 0.6744 NPC266249
Remote Similarity 0.6739 NPC15801
Remote Similarity 0.6728 NPC220337
Remote Similarity 0.6726 NPC471762
Remote Similarity 0.6717 NPC191310
Remote Similarity 0.6714 NPC472284
Remote Similarity 0.6712 NPC150239
Remote Similarity 0.6712 NPC54066
Remote Similarity 0.6712 NPC472099
Remote Similarity 0.6711 NPC49547
Remote Similarity 0.6707 NPC101312
Remote Similarity 0.6701 NPC177404
Remote Similarity 0.67 NPC283152
Remote Similarity 0.67 NPC320394
Remote Similarity 0.6699 NPC45389
Remote Similarity 0.6698 NPC270918
Remote Similarity 0.6697 NPC247803
Remote Similarity 0.6696 NPC278525
Remote Similarity 0.6696 NPC122436
Remote Similarity 0.6695 NPC472435
Remote Similarity 0.6694 NPC282346
Remote Similarity 0.6683 NPC312872
Remote Similarity 0.6682 NPC152768
Remote Similarity 0.6682 NPC322064
Remote Similarity 0.6682 NPC36405
Remote Similarity 0.6682 NPC148183
Remote Similarity 0.6682 NPC472259
Remote Similarity 0.6682 NPC3207
Remote Similarity 0.6681 NPC478078
Remote Similarity 0.6681 NPC22481
Remote Similarity 0.6667 NPC235685
Remote Similarity 0.6667 NPC313804
Remote Similarity 0.6667 NPC53534
Remote Similarity 0.6667 NPC42591
Remote Similarity 0.6667 NPC168209
Remote Similarity 0.6667 NPC315804
Remote Similarity 0.6667 NPC90229
Remote Similarity 0.6652 NPC210434
Remote Similarity 0.6652 NPC293151
Remote Similarity 0.6652 NPC66777
Remote Similarity 0.6651 NPC135950
Remote Similarity 0.665 NPC8467

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  292.10
ALogP  -1.3249
MLogP  3
XLogP  5.577
HDA  3
HBD  0
Rotatable Bonds  6
TPSA  66.16
RO5 Violation  1