Drug Information

Drug ID:  NPD9542
Drug Name:  Ethoxzolamide
Molecular Formula:  C9H10N2O3S2
Canonical SMILES:  CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N
Standard InCHI:  InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
Standard InCHIKey:  OUZWUKMCLIBBOG-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9542

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 0.766 NPC188104
Remote Similarity 0.6946 NPC273714
Remote Similarity 0.6946 NPC69277
Remote Similarity 0.6927 NPC222592
Remote Similarity 0.6927 NPC249662
Remote Similarity 0.6927 NPC168486
Remote Similarity 0.6905 NPC151779
Remote Similarity 0.6818 NPC134079
Remote Similarity 0.6717 NPC206251
Remote Similarity 0.6717 NPC74382
Remote Similarity 0.6684 NPC285635
Remote Similarity 0.6667 NPC153467
Remote Similarity 0.6633 NPC238242
Remote Similarity 0.6628 NPC287895
Remote Similarity 0.66 NPC224327
Remote Similarity 0.6528 NPC258773
Remote Similarity 0.6515 NPC176127
Remote Similarity 0.6505 NPC26872
Remote Similarity 0.6489 NPC470889
Remote Similarity 0.6474 NPC177404
Remote Similarity 0.6402 NPC26850
Remote Similarity 0.6382 NPC118776
Remote Similarity 0.6355 NPC296527
Remote Similarity 0.633 NPC161108
Remote Similarity 0.6324 NPC76748
Remote Similarity 0.6313 NPC283152
Remote Similarity 0.6311 NPC307963
Remote Similarity 0.6308 NPC476518
Remote Similarity 0.6305 NPC66083
Remote Similarity 0.6293 NPC92111
Remote Similarity 0.6276 NPC14651
Remote Similarity 0.6276 NPC121658
Remote Similarity 0.6269 NPC118511
Remote Similarity 0.6256 NPC1527
Remote Similarity 0.625 NPC251090
Remote Similarity 0.6244 NPC471593
Remote Similarity 0.6238 NPC84478
Remote Similarity 0.6202 NPC131017
Remote Similarity 0.6197 NPC162484
Remote Similarity 0.6195 NPC110741
Remote Similarity 0.6181 NPC288943
Remote Similarity 0.6168 NPC264782
Remote Similarity 0.6162 NPC111624
Remote Similarity 0.6154 NPC79293
Remote Similarity 0.6154 NPC279401
Remote Similarity 0.6139 NPC161887
Remote Similarity 0.6139 NPC219963
Remote Similarity 0.6132 NPC121772
Remote Similarity 0.6131 NPC312872
Remote Similarity 0.6114 NPC72211
Remote Similarity 0.6065 NPC472111
Remote Similarity 0.6059 NPC206201
Remote Similarity 0.6059 NPC266551
Remote Similarity 0.6056 NPC329793
Remote Similarity 0.6056 NPC176538
Remote Similarity 0.6047 NPC223427
Remote Similarity 0.6039 NPC242928
Remote Similarity 0.602 NPC286195
Remote Similarity 0.6019 NPC70259
Remote Similarity 0.6019 NPC13880
Remote Similarity 0.6019 NPC204385
Remote Similarity 0.6009 NPC18487
Remote Similarity 0.6 NPC135887
Remote Similarity 0.6 NPC62069
Remote Similarity 0.6 NPC199277
Remote Similarity 0.5992 NPC316756
Remote Similarity 0.5991 NPC267928
Remote Similarity 0.5991 NPC45190
Remote Similarity 0.599 NPC36168
Remote Similarity 0.5989 NPC320863
Remote Similarity 0.5989 NPC470394
Remote Similarity 0.5989 NPC470403
Remote Similarity 0.5989 NPC470404
Remote Similarity 0.5982 NPC201697
Remote Similarity 0.598 NPC474798
Remote Similarity 0.5972 NPC43787
Remote Similarity 0.5972 NPC205934
Remote Similarity 0.5971 NPC20249
Remote Similarity 0.5957 NPC315822
Remote Similarity 0.5935 NPC220408
Remote Similarity 0.5935 NPC128823
Remote Similarity 0.5926 NPC291535
Remote Similarity 0.5926 NPC475085
Remote Similarity 0.5926 NPC470395
Remote Similarity 0.5926 NPC475112
Remote Similarity 0.5924 NPC475190
Remote Similarity 0.5924 NPC84853
Remote Similarity 0.5917 NPC300156
Remote Similarity 0.5917 NPC476106
Remote Similarity 0.5915 NPC70956
Remote Similarity 0.5915 NPC243834
Remote Similarity 0.5907 NPC19872
Remote Similarity 0.5901 NPC48353
Remote Similarity 0.5901 NPC472098
Remote Similarity 0.5894 NPC42591
Remote Similarity 0.589 NPC193777
Remote Similarity 0.589 NPC321428
Remote Similarity 0.5882 NPC471304
Remote Similarity 0.5864 NPC82548
Remote Similarity 0.5864 NPC476465
Remote Similarity 0.586 NPC187558
Remote Similarity 0.5849 NPC226202
Remote Similarity 0.5848 NPC16066
Remote Similarity 0.5845 NPC471736
Remote Similarity 0.5833 NPC315957
Remote Similarity 0.5833 NPC329747
Remote Similarity 0.5817 NPC314002
Remote Similarity 0.5811 NPC269367
Remote Similarity 0.5806 NPC232727
Remote Similarity 0.5806 NPC267423
Remote Similarity 0.5806 NPC476044
Remote Similarity 0.5805 NPC88363
Remote Similarity 0.5804 NPC266931
Remote Similarity 0.5799 NPC329708
Remote Similarity 0.5799 NPC165349
Remote Similarity 0.5799 NPC47059
Remote Similarity 0.5799 NPC264166
Remote Similarity 0.5799 NPC257511
Remote Similarity 0.5799 NPC274291
Remote Similarity 0.5799 NPC118832
Remote Similarity 0.5792 NPC475910
Remote Similarity 0.5789 NPC472099
Remote Similarity 0.5785 NPC208284
Remote Similarity 0.578 NPC295898
Remote Similarity 0.5773 NPC284348
Remote Similarity 0.5769 NPC204717
Remote Similarity 0.5767 NPC88121
Remote Similarity 0.5766 NPC469589
Remote Similarity 0.5764 NPC280799
Remote Similarity 0.576 NPC11017
Remote Similarity 0.5759 NPC316981
Remote Similarity 0.5758 NPC25899
Remote Similarity 0.5755 NPC469390
Remote Similarity 0.5753 NPC476138
Remote Similarity 0.5753 NPC475774
Remote Similarity 0.5753 NPC245816
Remote Similarity 0.5747 NPC249583
Remote Similarity 0.5734 NPC470586
Remote Similarity 0.5733 NPC469592
Remote Similarity 0.5733 NPC471080
Remote Similarity 0.5733 NPC476287
Remote Similarity 0.5733 NPC478074
Remote Similarity 0.5729 NPC161292
Remote Similarity 0.5727 NPC470930
Remote Similarity 0.5727 NPC285558
Remote Similarity 0.5722 NPC148592
Remote Similarity 0.5721 NPC287208
Remote Similarity 0.5721 NPC470931
Remote Similarity 0.5721 NPC308392
Remote Similarity 0.5721 NPC220765
Remote Similarity 0.5721 NPC477533
Remote Similarity 0.5714 NPC171171
Remote Similarity 0.5714 NPC61350
Remote Similarity 0.5714 NPC287437
Remote Similarity 0.5708 NPC50562
Remote Similarity 0.5707 NPC208022
Remote Similarity 0.5707 NPC473432
Remote Similarity 0.5707 NPC224764
Remote Similarity 0.5702 NPC96321
Remote Similarity 0.5702 NPC46561
Remote Similarity 0.5701 NPC475841
Remote Similarity 0.5701 NPC474145
Remote Similarity 0.5699 NPC257142
Remote Similarity 0.5698 NPC315632
Remote Similarity 0.5696 NPC24802
Remote Similarity 0.5696 NPC477532
Remote Similarity 0.5695 NPC174672
Remote Similarity 0.5692 NPC14101
Remote Similarity 0.5689 NPC94157
Remote Similarity 0.5689 NPC264176
Remote Similarity 0.5688 NPC234197
Remote Similarity 0.5686 NPC474409
Remote Similarity 0.5685 NPC315257
Remote Similarity 0.5684 NPC60553
Remote Similarity 0.5684 NPC252251
Remote Similarity 0.5683 NPC152768
Remote Similarity 0.5683 NPC288349
Remote Similarity 0.5683 NPC67658
Remote Similarity 0.5683 NPC148183
Remote Similarity 0.568 NPC184964
Remote Similarity 0.5676 NPC297584
Remote Similarity 0.5676 NPC4687
Remote Similarity 0.567 NPC199667
Remote Similarity 0.5667 NPC49051
Remote Similarity 0.5657 NPC116573
Remote Similarity 0.5654 NPC469961
Remote Similarity 0.5654 NPC195268
Remote Similarity 0.5654 NPC133140
Remote Similarity 0.5652 NPC472168
Remote Similarity 0.5652 NPC72980
Remote Similarity 0.5652 NPC42979
Remote Similarity 0.565 NPC48192
Remote Similarity 0.565 NPC79911
Remote Similarity 0.5648 NPC220523
Remote Similarity 0.5644 NPC187501
Remote Similarity 0.564 NPC194040
Remote Similarity 0.5636 NPC477531
Remote Similarity 0.5633 NPC469594
Remote Similarity 0.5632 NPC476462
Remote Similarity 0.5631 NPC470164

Drug Structure

External Identifiers

TTD   DAP000598; DNC003380
DrugBank   DB00311
ChEMBL   CHEMBL18
IUPHAR/BPS   6814
PharmaGKB   PA164754743
KEGG Drug   D02441
PubChem CID   3295
ChEBI   101096
CAS Number  452-35-7

Drug Properties

Molecular Weight  258.01
ALogP  -0.1473
MLogP  1.68
XLogP  0.588
HDA  4
HBD  1
Rotatable Bonds  5
TPSA  118.9
RO5 Violation  0