Drug Information

Drug ID:  NPD9243
Drug Name:  Chlorzoxazone
Molecular Formula:  C7H4ClNO2
Canonical SMILES:  Clc1ccc2c(c1)nc(o2)O
Standard InCHI:  InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
Standard InCHIKey:  TZFWDZFKRBELIQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9243

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 1.0 NPC469961
High Similarity 0.9235 NPC286195
Intermediate Similarity 0.8307 NPC220408
Intermediate Similarity 0.705 NPC230403
Remote Similarity 0.6959 NPC314633
Remote Similarity 0.6844 NPC240384
Remote Similarity 0.681 NPC321428
Remote Similarity 0.6733 NPC144381
Remote Similarity 0.6682 NPC146418
Remote Similarity 0.6651 NPC474428
Remote Similarity 0.6651 NPC184408
Remote Similarity 0.6651 NPC309919
Remote Similarity 0.663 NPC85443
Remote Similarity 0.662 NPC39500
Remote Similarity 0.6615 NPC253810
Remote Similarity 0.6609 NPC161801
Remote Similarity 0.6575 NPC174576
Remote Similarity 0.6567 NPC156059
Remote Similarity 0.6542 NPC41382
Remote Similarity 0.6528 NPC187501
Remote Similarity 0.65 NPC197141
Remote Similarity 0.6498 NPC38237
Remote Similarity 0.6486 NPC473874
Remote Similarity 0.6478 NPC477589
Remote Similarity 0.6478 NPC477587
Remote Similarity 0.6471 NPC288987
Remote Similarity 0.6453 NPC241025
Remote Similarity 0.6447 NPC196718
Remote Similarity 0.6447 NPC102593
Remote Similarity 0.6443 NPC118511
Remote Similarity 0.6425 NPC322644
Remote Similarity 0.6425 NPC131885
Remote Similarity 0.6422 NPC477586
Remote Similarity 0.6422 NPC477588
Remote Similarity 0.6422 NPC477590
Remote Similarity 0.6422 NPC477585
Remote Similarity 0.6417 NPC302159
Remote Similarity 0.6393 NPC324361
Remote Similarity 0.6388 NPC274640
Remote Similarity 0.6384 NPC144452
Remote Similarity 0.6383 NPC257142
Remote Similarity 0.6364 NPC118228
Remote Similarity 0.6356 NPC205372
Remote Similarity 0.6345 NPC1527
Remote Similarity 0.6323 NPC208084
Remote Similarity 0.6321 NPC116573
Remote Similarity 0.6296 NPC472287
Remote Similarity 0.6296 NPC472286
Remote Similarity 0.6295 NPC225279
Remote Similarity 0.6293 NPC42591
Remote Similarity 0.6283 NPC284348
Remote Similarity 0.6263 NPC13432
Remote Similarity 0.6263 NPC470894
Remote Similarity 0.6262 NPC194040
Remote Similarity 0.6256 NPC269367
Remote Similarity 0.6256 NPC179287
Remote Similarity 0.6244 NPC55038
Remote Similarity 0.6227 NPC87413
Remote Similarity 0.6224 NPC257763
Remote Similarity 0.6222 NPC54066
Remote Similarity 0.6221 NPC300156
Remote Similarity 0.6219 NPC303225
Remote Similarity 0.6214 NPC295158
Remote Similarity 0.6209 NPC297584
Remote Similarity 0.6207 NPC149402
Remote Similarity 0.6201 NPC140296
Remote Similarity 0.6193 NPC4687
Remote Similarity 0.619 NPC474688
Remote Similarity 0.6174 NPC194740
Remote Similarity 0.6172 NPC471593
Remote Similarity 0.6167 NPC216612
Remote Similarity 0.6161 NPC475190
Remote Similarity 0.6151 NPC72715
Remote Similarity 0.615 NPC323969
Remote Similarity 0.6146 NPC118776
Remote Similarity 0.6143 NPC16066
Remote Similarity 0.6141 NPC165964
Remote Similarity 0.614 NPC51388
Remote Similarity 0.6134 NPC298288
Remote Similarity 0.6124 NPC110741
Remote Similarity 0.6124 NPC242928
Remote Similarity 0.6121 NPC472284
Remote Similarity 0.6119 NPC283117
Remote Similarity 0.6119 NPC193238
Remote Similarity 0.6118 NPC475844
Remote Similarity 0.6103 NPC142688
Remote Similarity 0.6099 NPC232225
Remote Similarity 0.6093 NPC280714
Remote Similarity 0.6093 NPC128823
Remote Similarity 0.6091 NPC287208
Remote Similarity 0.6089 NPC223189
Remote Similarity 0.6073 NPC45190
Remote Similarity 0.6073 NPC471736
Remote Similarity 0.6068 NPC474798
Remote Similarity 0.6066 NPC208022
Remote Similarity 0.6063 NPC325297
Remote Similarity 0.6061 NPC257851
Remote Similarity 0.6052 NPC260434
Remote Similarity 0.6051 NPC33229
Remote Similarity 0.605 NPC148889
Remote Similarity 0.6048 NPC282346
Remote Similarity 0.6047 NPC196449
Remote Similarity 0.6047 NPC314222
Remote Similarity 0.6045 NPC249583
Remote Similarity 0.6043 NPC97746
Remote Similarity 0.6035 NPC298436
Remote Similarity 0.6027 NPC132539
Remote Similarity 0.6027 NPC472259
Remote Similarity 0.6026 NPC473186
Remote Similarity 0.6025 NPC124300
Remote Similarity 0.6024 NPC209981
Remote Similarity 0.6018 NPC39679
Remote Similarity 0.6017 NPC35042
Remote Similarity 0.6009 NPC174760
Remote Similarity 0.6009 NPC294375
Remote Similarity 0.6009 NPC220337
Remote Similarity 0.6009 NPC295898
Remote Similarity 0.6 NPC50562
Remote Similarity 0.6 NPC208364
Remote Similarity 0.6 NPC291609
Remote Similarity 0.6 NPC153452
Remote Similarity 0.6 NPC116238
Remote Similarity 0.6 NPC26872
Remote Similarity 0.5992 NPC172355
Remote Similarity 0.5983 NPC119006
Remote Similarity 0.5983 NPC474701
Remote Similarity 0.5982 NPC317572
Remote Similarity 0.5982 NPC475774
Remote Similarity 0.598 NPC177404
Remote Similarity 0.598 NPC79911
Remote Similarity 0.5975 NPC39370
Remote Similarity 0.5975 NPC34770
Remote Similarity 0.5975 NPC182222
Remote Similarity 0.5973 NPC67658
Remote Similarity 0.597 NPC41717
Remote Similarity 0.5963 NPC470586
Remote Similarity 0.5957 NPC478141
Remote Similarity 0.5952 NPC470042
Remote Similarity 0.595 NPC310618
Remote Similarity 0.5949 NPC109158
Remote Similarity 0.5947 NPC169402
Remote Similarity 0.5945 NPC18487
Remote Similarity 0.5935 NPC473821
Remote Similarity 0.5934 NPC160100
Remote Similarity 0.5933 NPC320394
Remote Similarity 0.5932 NPC172222
Remote Similarity 0.5932 NPC329631
Remote Similarity 0.5931 NPC94842
Remote Similarity 0.593 NPC120798
Remote Similarity 0.5924 NPC206186
Remote Similarity 0.5923 NPC192712
Remote Similarity 0.5922 NPC315631
Remote Similarity 0.5921 NPC247803
Remote Similarity 0.5916 NPC470404
Remote Similarity 0.5916 NPC470403
Remote Similarity 0.5916 NPC470394
Remote Similarity 0.5913 NPC206201
Remote Similarity 0.5911 NPC310211
Remote Similarity 0.5911 NPC308137
Remote Similarity 0.5909 NPC26850
Remote Similarity 0.5907 NPC93390
Remote Similarity 0.5905 NPC20249
Remote Similarity 0.5904 NPC476475
Remote Similarity 0.5902 NPC173250
Remote Similarity 0.5901 NPC270918
Remote Similarity 0.5897 NPC52110
Remote Similarity 0.5896 NPC221873
Remote Similarity 0.5895 NPC168209
Remote Similarity 0.5885 NPC89508
Remote Similarity 0.5885 NPC250448
Remote Similarity 0.5885 NPC58209
Remote Similarity 0.5885 NPC476287
Remote Similarity 0.5882 NPC273532
Remote Similarity 0.588 NPC77061
Remote Similarity 0.5877 NPC293151
Remote Similarity 0.5874 NPC84347
Remote Similarity 0.5874 NPC308392
Remote Similarity 0.587 NPC150239
Remote Similarity 0.5868 NPC316224
Remote Similarity 0.5864 NPC168750
Remote Similarity 0.5863 NPC258048
Remote Similarity 0.5862 NPC122436
Remote Similarity 0.5858 NPC104712
Remote Similarity 0.5857 NPC207851
Remote Similarity 0.5855 NPC470395
Remote Similarity 0.5853 NPC74153
Remote Similarity 0.5853 NPC141454
Remote Similarity 0.5853 NPC267928
Remote Similarity 0.5853 NPC78767
Remote Similarity 0.5853 NPC473814
Remote Similarity 0.5852 NPC303658
Remote Similarity 0.585 NPC285635
Remote Similarity 0.5847 NPC267853
Remote Similarity 0.5847 NPC315062
Remote Similarity 0.5844 NPC280799
Remote Similarity 0.5844 NPC90019
Remote Similarity 0.5837 NPC161887
Remote Similarity 0.5837 NPC219963
Remote Similarity 0.5837 NPC270301
Remote Similarity 0.5837 NPC266551

Drug Structure

External Identifiers

TTD   DAP000952
DrugBank   DB00356
ChEMBL   CHEMBL1371
IUPHAR/BPS   2322
PharmaGKB   PA448971
KEGG Drug   D00771
PubChem CID   2733
ChEBI   3655
CAS Number  95-25-0

Drug Properties

Molecular Weight  168.99
ALogP  0.1299
MLogP  1.79
XLogP  1.517
HDA  1
HBD  1
Rotatable Bonds  2
TPSA  46.26
RO5 Violation  0