Drug Information

Drug ID:  NPD9487
Drug Name:  Zonisamide
Molecular Formula:  C8H8N2O3S
Canonical SMILES:  NS(=O)(=O)Cc1noc2c1cccc2
Standard InCHI:  InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
Standard InCHIKey:  UBQNRHZMVUUOMG-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9487

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 0.8 NPC264400
Remote Similarity 0.644 NPC238242
Remote Similarity 0.64 NPC134848
Remote Similarity 0.6335 NPC282103
Remote Similarity 0.6296 NPC249662
Remote Similarity 0.625 NPC295158
Remote Similarity 0.6235 NPC43218
Remote Similarity 0.6218 NPC150308
Remote Similarity 0.6215 NPC241392
Remote Similarity 0.6207 NPC323798
Remote Similarity 0.6195 NPC210828
Remote Similarity 0.6195 NPC86834
Remote Similarity 0.6186 NPC206186
Remote Similarity 0.617 NPC303225
Remote Similarity 0.6166 NPC241025
Remote Similarity 0.6158 NPC237649
Remote Similarity 0.6158 NPC300596
Remote Similarity 0.6154 NPC12344
Remote Similarity 0.6146 NPC183777
Remote Similarity 0.6141 NPC204867
Remote Similarity 0.614 NPC159722
Remote Similarity 0.6122 NPC144381
Remote Similarity 0.6106 NPC23294
Remote Similarity 0.6105 NPC181527
Remote Similarity 0.6105 NPC9475
Remote Similarity 0.61 NPC470021
Remote Similarity 0.61 NPC90229
Remote Similarity 0.6098 NPC226794
Remote Similarity 0.6095 NPC130655
Remote Similarity 0.6094 NPC28368
Remote Similarity 0.6092 NPC301702
Remote Similarity 0.608 NPC276517
Remote Similarity 0.6077 NPC310211
Remote Similarity 0.6077 NPC308137
Remote Similarity 0.6077 NPC219087
Remote Similarity 0.6071 NPC221873
Remote Similarity 0.607 NPC472284
Remote Similarity 0.607 NPC248782
Remote Similarity 0.6068 NPC249583
Remote Similarity 0.6068 NPC4687
Remote Similarity 0.6059 NPC98864
Remote Similarity 0.6058 NPC303951
Remote Similarity 0.6053 NPC8467
Remote Similarity 0.6049 NPC130931
Remote Similarity 0.6048 NPC122235
Remote Similarity 0.6047 NPC316574
Remote Similarity 0.6039 NPC39679
Remote Similarity 0.6039 NPC171787
Remote Similarity 0.6038 NPC27041
Remote Similarity 0.6034 NPC144691
Remote Similarity 0.603 NPC473821
Remote Similarity 0.602 NPC473814
Remote Similarity 0.602 NPC74153
Remote Similarity 0.602 NPC78767
Remote Similarity 0.602 NPC278434
Remote Similarity 0.6019 NPC116238
Remote Similarity 0.6012 NPC477432
Remote Similarity 0.601 NPC138370
Remote Similarity 0.6 NPC257763
Remote Similarity 0.6 NPC475983
Remote Similarity 0.6 NPC177404
Remote Similarity 0.6 NPC93390
Remote Similarity 0.5991 NPC322064
Remote Similarity 0.5991 NPC471615
Remote Similarity 0.5991 NPC3207
Remote Similarity 0.5981 NPC309845
Remote Similarity 0.598 NPC56170
Remote Similarity 0.5972 NPC207866
Remote Similarity 0.5971 NPC473239
Remote Similarity 0.5969 NPC194040
Remote Similarity 0.5962 NPC169402
Remote Similarity 0.5959 NPC168486
Remote Similarity 0.5959 NPC222592
Remote Similarity 0.5956 NPC477889
Remote Similarity 0.5955 NPC259678
Remote Similarity 0.5953 NPC276657
Remote Similarity 0.5952 NPC9894
Remote Similarity 0.5952 NPC87413
Remote Similarity 0.5952 NPC146418
Remote Similarity 0.595 NPC230403
Remote Similarity 0.5947 NPC474409
Remote Similarity 0.5947 NPC191310
Remote Similarity 0.5946 NPC322644
Remote Similarity 0.5945 NPC122436
Remote Similarity 0.5942 NPC45190
Remote Similarity 0.5942 NPC300156
Remote Similarity 0.5938 NPC219848
Remote Similarity 0.5935 NPC46561
Remote Similarity 0.5935 NPC247803
Remote Similarity 0.5935 NPC141523
Remote Similarity 0.5928 NPC314278
Remote Similarity 0.5924 NPC110182
Remote Similarity 0.5922 NPC315829
Remote Similarity 0.592 NPC471316
Remote Similarity 0.5915 NPC62995
Remote Similarity 0.5914 NPC242116
Remote Similarity 0.5913 NPC270918
Remote Similarity 0.5913 NPC321428
Remote Similarity 0.5913 NPC283117
Remote Similarity 0.5911 NPC306376
Remote Similarity 0.5907 NPC74360
Remote Similarity 0.5907 NPC256268
Remote Similarity 0.5907 NPC164340
Remote Similarity 0.5904 NPC472888
Remote Similarity 0.5899 NPC220851
Remote Similarity 0.5897 NPC243058
Remote Similarity 0.5892 NPC103250
Remote Similarity 0.5891 NPC470023
Remote Similarity 0.5886 NPC181526
Remote Similarity 0.5885 NPC224764
Remote Similarity 0.588 NPC174760
Remote Similarity 0.588 NPC150239
Remote Similarity 0.588 NPC323969
Remote Similarity 0.5876 NPC478040
Remote Similarity 0.5873 NPC470894
Remote Similarity 0.5872 NPC314633
Remote Similarity 0.5868 NPC205946
Remote Similarity 0.5867 NPC203635
Remote Similarity 0.5865 NPC472287
Remote Similarity 0.5865 NPC175602
Remote Similarity 0.5865 NPC472286
Remote Similarity 0.586 NPC93653
Remote Similarity 0.5857 NPC325297
Remote Similarity 0.5853 NPC198503
Remote Similarity 0.5851 NPC115232
Remote Similarity 0.5851 NPC299582
Remote Similarity 0.5847 NPC26872
Remote Similarity 0.5845 NPC317572
Remote Similarity 0.5842 NPC471943
Remote Similarity 0.5839 NPC160179
Remote Similarity 0.5837 NPC471762
Remote Similarity 0.5833 NPC172170
Remote Similarity 0.5833 NPC476444
Remote Similarity 0.5833 NPC474916
Remote Similarity 0.5833 NPC288987
Remote Similarity 0.5829 NPC214106
Remote Similarity 0.5829 NPC269367
Remote Similarity 0.5825 NPC42979
Remote Similarity 0.5825 NPC471944
Remote Similarity 0.5817 NPC132539
Remote Similarity 0.5814 NPC223189
Remote Similarity 0.5813 NPC309808
Remote Similarity 0.581 NPC472242
Remote Similarity 0.5808 NPC160381
Remote Similarity 0.5808 NPC90415
Remote Similarity 0.5805 NPC280714
Remote Similarity 0.5803 NPC84347
Remote Similarity 0.5802 NPC220337
Remote Similarity 0.5802 NPC187501
Remote Similarity 0.5802 NPC294375
Remote Similarity 0.5801 NPC257142
Remote Similarity 0.58 NPC154339
Remote Similarity 0.5796 NPC224584
Remote Similarity 0.5795 NPC472243
Remote Similarity 0.5795 NPC314252
Remote Similarity 0.5795 NPC238108
Remote Similarity 0.5795 NPC298320
Remote Similarity 0.5789 NPC44161
Remote Similarity 0.5785 NPC119006
Remote Similarity 0.5782 NPC61038
Remote Similarity 0.578 NPC253476
Remote Similarity 0.5771 NPC166667
Remote Similarity 0.5767 NPC148183
Remote Similarity 0.5767 NPC152768
Remote Similarity 0.5766 NPC66777
Remote Similarity 0.5766 NPC246381
Remote Similarity 0.5765 NPC270301
Remote Similarity 0.5763 NPC316202
Remote Similarity 0.5763 NPC471574
Remote Similarity 0.576 NPC208084
Remote Similarity 0.576 NPC269270
Remote Similarity 0.576 NPC48317
Remote Similarity 0.5759 NPC102593
Remote Similarity 0.5759 NPC196718
Remote Similarity 0.5758 NPC246214
Remote Similarity 0.5755 NPC85273
Remote Similarity 0.5754 NPC470822
Remote Similarity 0.5754 NPC136002
Remote Similarity 0.5753 NPC26850
Remote Similarity 0.5753 NPC478141
Remote Similarity 0.5752 NPC473187
Remote Similarity 0.575 NPC44354
Remote Similarity 0.575 NPC18890
Remote Similarity 0.5748 NPC39500
Remote Similarity 0.5747 NPC173295
Remote Similarity 0.5744 NPC67659
Remote Similarity 0.5744 NPC72980
Remote Similarity 0.5743 NPC67551
Remote Similarity 0.5742 NPC472259
Remote Similarity 0.5736 NPC212535
Remote Similarity 0.5734 NPC14686
Remote Similarity 0.5732 NPC206007
Remote Similarity 0.5732 NPC229353
Remote Similarity 0.573 NPC472241
Remote Similarity 0.5727 NPC477589
Remote Similarity 0.5727 NPC477587
Remote Similarity 0.5727 NPC235685
Remote Similarity 0.5727 NPC470022
Remote Similarity 0.5722 NPC151635
Remote Similarity 0.5721 NPC16066

Drug Structure

External Identifiers

TTD   DAP000500
DrugBank   DB00909
ChEMBL   CHEMBL750
IUPHAR/BPS   7047
PharmaGKB   PA451978
KEGG Drug   D00538
PubChem CID   5734
ChEBI   10127
CAS Number  68291-97-4

Drug Properties

Molecular Weight  212.03
ALogP  -1.079
MLogP  1.68
XLogP  1.028
HDA  3
HBD  1
Rotatable Bonds  3
TPSA  94.57
RO5 Violation  0