Drug Information

Drug ID:  NPD1630
Drug Name:  Tolmetin Sodium
Molecular Formula:  C15H15NO3.Na
Canonical SMILES:  [O-]C(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C.[Na+]
Standard InCHI:  InChI=1S/C15H15NO3.Na/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);/q;+1/p-1
Standard InCHIKey:  QGUALMNFRILWRA-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1630

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 0.7853 NPC472292
Intermediate Similarity 0.7821 NPC472293
Intermediate Similarity 0.7809 NPC269886
Intermediate Similarity 0.7809 NPC81802
Intermediate Similarity 0.7809 NPC472210
Intermediate Similarity 0.7809 NPC247735
Intermediate Similarity 0.7809 NPC472295
Intermediate Similarity 0.7803 NPC159125
Intermediate Similarity 0.7784 NPC41717
Intermediate Similarity 0.7738 NPC470894
Intermediate Similarity 0.7738 NPC70949
Intermediate Similarity 0.7725 NPC115232
Intermediate Similarity 0.7722 NPC472116
Intermediate Similarity 0.7714 NPC282103
Intermediate Similarity 0.7697 NPC80681
Intermediate Similarity 0.7692 NPC472297
Intermediate Similarity 0.7692 NPC472296
Intermediate Similarity 0.7657 NPC207851
Intermediate Similarity 0.7651 NPC322644
Intermediate Similarity 0.7614 NPC295158
Intermediate Similarity 0.7614 NPC241025
Intermediate Similarity 0.7607 NPC217021
Intermediate Similarity 0.7607 NPC470679
Intermediate Similarity 0.7596 NPC81535
Intermediate Similarity 0.7568 NPC57398
Intermediate Similarity 0.7558 NPC469529
Intermediate Similarity 0.7514 NPC471944
Intermediate Similarity 0.75 NPC138370
Intermediate Similarity 0.7486 NPC73994
Intermediate Similarity 0.7471 NPC114637
Intermediate Similarity 0.7458 NPC46895
Intermediate Similarity 0.7446 NPC472284
Intermediate Similarity 0.7439 NPC473878
Intermediate Similarity 0.743 NPC278434
Intermediate Similarity 0.7423 NPC100726
Intermediate Similarity 0.7414 NPC151635
Intermediate Similarity 0.7412 NPC71132
Intermediate Similarity 0.7401 NPC143533
Intermediate Similarity 0.7396 NPC242116
Intermediate Similarity 0.7396 NPC214106
Intermediate Similarity 0.7386 NPC61011
Intermediate Similarity 0.7374 NPC160381
Intermediate Similarity 0.7371 NPC145885
Intermediate Similarity 0.7371 NPC14113
Intermediate Similarity 0.7371 NPC111275
Intermediate Similarity 0.7371 NPC84827
Intermediate Similarity 0.7371 NPC234987
Intermediate Similarity 0.736 NPC258480
Intermediate Similarity 0.7353 NPC265100
Intermediate Similarity 0.7351 NPC474916
Intermediate Similarity 0.7348 NPC83111
Intermediate Similarity 0.7333 NPC206186
Intermediate Similarity 0.7333 NPC472323
Intermediate Similarity 0.733 NPC55772
Intermediate Similarity 0.7329 NPC58268
Intermediate Similarity 0.7329 NPC114033
Intermediate Similarity 0.7329 NPC101130
Intermediate Similarity 0.7329 NPC129412
Intermediate Similarity 0.7314 NPC84347
Intermediate Similarity 0.7312 NPC85443
Intermediate Similarity 0.7312 NPC123395
Intermediate Similarity 0.7302 NPC132539
Intermediate Similarity 0.7299 NPC191310
Intermediate Similarity 0.7299 NPC252572
Intermediate Similarity 0.7297 NPC141454
Intermediate Similarity 0.7289 NPC70406
Intermediate Similarity 0.7289 NPC472260
Intermediate Similarity 0.7288 NPC15840
Intermediate Similarity 0.7283 NPC202812
Intermediate Similarity 0.7273 NPC83774
Intermediate Similarity 0.7263 NPC472286
Intermediate Similarity 0.7263 NPC472287
Intermediate Similarity 0.7263 NPC285923
Intermediate Similarity 0.7263 NPC472119
Intermediate Similarity 0.7263 NPC477003
Intermediate Similarity 0.7253 NPC154339
Intermediate Similarity 0.7249 NPC165599
Intermediate Similarity 0.7247 NPC113626
Intermediate Similarity 0.7246 NPC251391
Intermediate Similarity 0.7246 NPC281094
Intermediate Similarity 0.7243 NPC79356
Intermediate Similarity 0.7243 NPC102592
Intermediate Similarity 0.7241 NPC273532
Intermediate Similarity 0.7239 NPC230085
Intermediate Similarity 0.7239 NPC159630
Intermediate Similarity 0.7235 NPC100104
Intermediate Similarity 0.7235 NPC470680
Intermediate Similarity 0.7232 NPC248041
Intermediate Similarity 0.7232 NPC126709
Intermediate Similarity 0.7232 NPC219336
Intermediate Similarity 0.7228 NPC267343
Intermediate Similarity 0.7225 NPC78020
Intermediate Similarity 0.7222 NPC133003
Intermediate Similarity 0.7216 NPC267885
Intermediate Similarity 0.7191 NPC477042
Intermediate Similarity 0.7191 NPC469896
Intermediate Similarity 0.7184 NPC471943
Intermediate Similarity 0.7182 NPC66210
Intermediate Similarity 0.7175 NPC15573
Intermediate Similarity 0.7175 NPC183662
Intermediate Similarity 0.7175 NPC217372
Intermediate Similarity 0.7175 NPC284775
Intermediate Similarity 0.7165 NPC146418
Intermediate Similarity 0.716 NPC238499
Intermediate Similarity 0.7159 NPC110500
Intermediate Similarity 0.7159 NPC469938
Intermediate Similarity 0.7159 NPC149155
Intermediate Similarity 0.7159 NPC139763
Intermediate Similarity 0.7159 NPC203468
Intermediate Similarity 0.7158 NPC324091
Intermediate Similarity 0.7158 NPC314333
Intermediate Similarity 0.7158 NPC469489
Intermediate Similarity 0.7158 NPC329858
Intermediate Similarity 0.7151 NPC191415
Intermediate Similarity 0.7151 NPC245916
Intermediate Similarity 0.7143 NPC312860
Intermediate Similarity 0.7143 NPC249614
Intermediate Similarity 0.7135 NPC283219
Intermediate Similarity 0.7126 NPC313889
Intermediate Similarity 0.7125 NPC292434
Intermediate Similarity 0.7125 NPC64661
Intermediate Similarity 0.7125 NPC195704
Intermediate Similarity 0.7125 NPC167200
Intermediate Similarity 0.7125 NPC14448
Intermediate Similarity 0.7125 NPC138596
Intermediate Similarity 0.7125 NPC200397
Intermediate Similarity 0.7125 NPC98156
Intermediate Similarity 0.7118 NPC76982
Intermediate Similarity 0.7112 NPC473814
Intermediate Similarity 0.7112 NPC78767
Intermediate Similarity 0.7111 NPC243058
Intermediate Similarity 0.7104 NPC221873
Intermediate Similarity 0.7098 NPC266249
Intermediate Similarity 0.7097 NPC93390
Intermediate Similarity 0.7092 NPC472291
Intermediate Similarity 0.7091 NPC467188
Intermediate Similarity 0.7088 NPC118084
Intermediate Similarity 0.7081 NPC55493
Intermediate Similarity 0.7081 NPC472288
Intermediate Similarity 0.7079 NPC219848
Intermediate Similarity 0.7076 NPC474492
Intermediate Similarity 0.7072 NPC203635
Intermediate Similarity 0.707 NPC71236
Intermediate Similarity 0.7066 NPC123906
Intermediate Similarity 0.7062 NPC303225
Intermediate Similarity 0.7056 NPC477979
Intermediate Similarity 0.7048 NPC302159
Intermediate Similarity 0.7047 NPC244741
Intermediate Similarity 0.7043 NPC192306
Intermediate Similarity 0.7041 NPC118940
Intermediate Similarity 0.7041 NPC200743
Intermediate Similarity 0.7039 NPC256268
Intermediate Similarity 0.7039 NPC248462
Intermediate Similarity 0.7033 NPC472107
Intermediate Similarity 0.7033 NPC79062
Intermediate Similarity 0.7031 NPC477043
Intermediate Similarity 0.7027 NPC476460
Intermediate Similarity 0.7026 NPC123839
Intermediate Similarity 0.7024 NPC471655
Intermediate Similarity 0.7011 NPC111602
Intermediate Similarity 0.7011 NPC42372
Intermediate Similarity 0.7011 NPC196251
Intermediate Similarity 0.7011 NPC102338
Intermediate Similarity 0.7011 NPC63199
Intermediate Similarity 0.7006 NPC477976
Intermediate Similarity 0.7006 NPC105811
Intermediate Similarity 0.7005 NPC289299
Intermediate Similarity 0.7005 NPC57994
Intermediate Similarity 0.7005 NPC135950
Intermediate Similarity 0.7 NPC263455
Remote Similarity 0.6995 NPC82053
Remote Similarity 0.6995 NPC235684
Remote Similarity 0.6995 NPC90415
Remote Similarity 0.6995 NPC315555
Remote Similarity 0.6994 NPC471574
Remote Similarity 0.6989 NPC67551
Remote Similarity 0.6984 NPC477044
Remote Similarity 0.6984 NPC477041
Remote Similarity 0.6983 NPC237188
Remote Similarity 0.6983 NPC157583
Remote Similarity 0.6973 NPC472112
Remote Similarity 0.6973 NPC144381
Remote Similarity 0.6966 NPC293216
Remote Similarity 0.6964 NPC102664
Remote Similarity 0.6959 NPC321428
Remote Similarity 0.6957 NPC291517
Remote Similarity 0.6954 NPC21174
Remote Similarity 0.6954 NPC271797
Remote Similarity 0.6952 NPC230403
Remote Similarity 0.6952 NPC88315
Remote Similarity 0.6947 NPC103361
Remote Similarity 0.6944 NPC213468
Remote Similarity 0.6943 NPC472259
Remote Similarity 0.6941 NPC107287
Remote Similarity 0.6937 NPC322488
Remote Similarity 0.6935 NPC472097
Remote Similarity 0.6933 NPC472243
Remote Similarity 0.6931 NPC106824
Remote Similarity 0.6931 NPC90229
Remote Similarity 0.6927 NPC162730

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  256.10
ALogP  -0.3891
MLogP  2.67
XLogP  3.153
HDA  4
HBD  0
Rotatable Bonds  7
TPSA  62.13
RO5 Violation  0