Drug Information

Drug ID:  NPD647
Drug Name:  Fenclozic Acid
Molecular Formula:  C11H8ClNO2S
Canonical SMILES:  OC(=O)Cc1csc(n1)c1ccc(cc1)Cl
Standard InCHI:  InChI=1S/C11H8ClNO2S/c12-8-3-1-7(2-4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
Standard InCHIKey:  APBSKHYXXKHJFK-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD647

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 0.7444 NPC249662
Intermediate Similarity 0.7204 NPC238242
Remote Similarity 0.6957 NPC151779
Remote Similarity 0.6914 NPC161108
Remote Similarity 0.6894 NPC273714
Remote Similarity 0.6806 NPC188104
Remote Similarity 0.6649 NPC49051
Remote Similarity 0.6585 NPC69277
Remote Similarity 0.6566 NPC287895
Remote Similarity 0.6494 NPC88121
Remote Similarity 0.6482 NPC272483
Remote Similarity 0.6446 NPC476140
Remote Similarity 0.644 NPC164228
Remote Similarity 0.6429 NPC329961
Remote Similarity 0.6429 NPC122427
Remote Similarity 0.6425 NPC148592
Remote Similarity 0.6389 NPC216713
Remote Similarity 0.6373 NPC138562
Remote Similarity 0.6364 NPC165538
Remote Similarity 0.627 NPC322644
Remote Similarity 0.625 NPC111275
Remote Similarity 0.6221 NPC322488
Remote Similarity 0.6214 NPC143325
Remote Similarity 0.6193 NPC315348
Remote Similarity 0.6193 NPC32002
Remote Similarity 0.619 NPC78020
Remote Similarity 0.6158 NPC476103
Remote Similarity 0.6146 NPC469938
Remote Similarity 0.6142 NPC96016
Remote Similarity 0.6138 NPC475920
Remote Similarity 0.6133 NPC471957
Remote Similarity 0.6129 NPC474791
Remote Similarity 0.6108 NPC41174
Remote Similarity 0.6105 NPC24990
Remote Similarity 0.6103 NPC222592
Remote Similarity 0.6103 NPC168486
Remote Similarity 0.6093 NPC79386
Remote Similarity 0.6082 NPC219848
Remote Similarity 0.6082 NPC248454
Remote Similarity 0.608 NPC278434
Remote Similarity 0.608 NPC471312
Remote Similarity 0.6073 NPC116961
Remote Similarity 0.6071 NPC71037
Remote Similarity 0.6067 NPC238499
Remote Similarity 0.6066 NPC145178
Remote Similarity 0.6066 NPC14877
Remote Similarity 0.6066 NPC475350
Remote Similarity 0.6062 NPC149155
Remote Similarity 0.6062 NPC203468
Remote Similarity 0.6062 NPC110500
Remote Similarity 0.6051 NPC256268
Remote Similarity 0.6051 NPC55772
Remote Similarity 0.6037 NPC148140
Remote Similarity 0.6034 NPC277157
Remote Similarity 0.6033 NPC470823
Remote Similarity 0.6031 NPC267885
Remote Similarity 0.6023 NPC278451
Remote Similarity 0.6022 NPC285731
Remote Similarity 0.601 NPC470003
Remote Similarity 0.6 NPC81561
Remote Similarity 0.6 NPC475534
Remote Similarity 0.6 NPC15573
Remote Similarity 0.6 NPC217372
Remote Similarity 0.6 NPC476080
Remote Similarity 0.6 NPC183662
Remote Similarity 0.6 NPC161242
Remote Similarity 0.599 NPC474168
Remote Similarity 0.5989 NPC477887
Remote Similarity 0.5981 NPC251036
Remote Similarity 0.598 NPC282103
Remote Similarity 0.598 NPC276517
Remote Similarity 0.5979 NPC303225
Remote Similarity 0.5969 NPC213468
Remote Similarity 0.5969 NPC219336
Remote Similarity 0.5969 NPC126709
Remote Similarity 0.5969 NPC41717
Remote Similarity 0.5969 NPC475330
Remote Similarity 0.5969 NPC283219
Remote Similarity 0.5969 NPC248041
Remote Similarity 0.5967 NPC242556
Remote Similarity 0.5965 NPC250361
Remote Similarity 0.5964 NPC54102
Remote Similarity 0.5964 NPC162689
Remote Similarity 0.596 NPC243058
Remote Similarity 0.596 NPC163055
Remote Similarity 0.595 NPC315555
Remote Similarity 0.5947 NPC8104
Remote Similarity 0.5944 NPC60553
Remote Similarity 0.5939 NPC25316
Remote Similarity 0.5939 NPC263485
Remote Similarity 0.5939 NPC229160
Remote Similarity 0.5939 NPC174652
Remote Similarity 0.5936 NPC141353
Remote Similarity 0.5934 NPC314372
Remote Similarity 0.5932 NPC29702
Remote Similarity 0.593 NPC203635
Remote Similarity 0.5926 NPC131718
Remote Similarity 0.5924 NPC37548
Remote Similarity 0.5922 NPC85443
Remote Similarity 0.5918 NPC28848
Remote Similarity 0.5918 NPC293472
Remote Similarity 0.5918 NPC14325
Remote Similarity 0.5914 NPC200214
Remote Similarity 0.5912 NPC190296
Remote Similarity 0.5909 NPC192270
Remote Similarity 0.5907 NPC91895
Remote Similarity 0.5902 NPC294693
Remote Similarity 0.5899 NPC114310
Remote Similarity 0.5896 NPC473762
Remote Similarity 0.5895 NPC214106
Remote Similarity 0.5895 NPC242116
Remote Similarity 0.5894 NPC474916
Remote Similarity 0.5893 NPC215519
Remote Similarity 0.5891 NPC61435
Remote Similarity 0.5886 NPC256893
Remote Similarity 0.5885 NPC98864
Remote Similarity 0.5882 NPC475568
Remote Similarity 0.5879 NPC469358
Remote Similarity 0.5876 NPC6982
Remote Similarity 0.5873 NPC477591
Remote Similarity 0.5873 NPC230869
Remote Similarity 0.5872 NPC475604
Remote Similarity 0.5871 NPC90415
Remote Similarity 0.5867 NPC288785
Remote Similarity 0.5865 NPC241024
Remote Similarity 0.5864 NPC102423
Remote Similarity 0.5862 NPC473587
Remote Similarity 0.5862 NPC314333
Remote Similarity 0.5862 NPC83111
Remote Similarity 0.5862 NPC471593
Remote Similarity 0.5862 NPC329858
Remote Similarity 0.5851 NPC285469
Remote Similarity 0.5851 NPC476464
Remote Similarity 0.585 NPC207851
Remote Similarity 0.5847 NPC167400
Remote Similarity 0.5847 NPC159856
Remote Similarity 0.5847 NPC470440
Remote Similarity 0.5843 NPC328029
Remote Similarity 0.5842 NPC472323
Remote Similarity 0.5838 NPC187951
Remote Similarity 0.5838 NPC124005
Remote Similarity 0.5838 NPC288445
Remote Similarity 0.5833 NPC138370
Remote Similarity 0.5833 NPC129909
Remote Similarity 0.5833 NPC115232
Remote Similarity 0.5829 NPC200743
Remote Similarity 0.5829 NPC469760
Remote Similarity 0.5829 NPC469765
Remote Similarity 0.5829 NPC469763
Remote Similarity 0.5829 NPC475428
Remote Similarity 0.5829 NPC73952
Remote Similarity 0.5829 NPC469786
Remote Similarity 0.5829 NPC25008
Remote Similarity 0.5829 NPC22079
Remote Similarity 0.5829 NPC281094
Remote Similarity 0.5829 NPC259644
Remote Similarity 0.5824 NPC320863
Remote Similarity 0.5821 NPC295158
Remote Similarity 0.582 NPC469762
Remote Similarity 0.582 NPC76982
Remote Similarity 0.582 NPC299594
Remote Similarity 0.5817 NPC248782
Remote Similarity 0.5815 NPC478186
Remote Similarity 0.5815 NPC161292
Remote Similarity 0.581 NPC471944
Remote Similarity 0.5805 NPC478030
Remote Similarity 0.5805 NPC67551
Remote Similarity 0.5805 NPC55493
Remote Similarity 0.5804 NPC153467
Remote Similarity 0.5803 NPC114637
Remote Similarity 0.5798 NPC471458
Remote Similarity 0.5798 NPC80597
Remote Similarity 0.5798 NPC211572
Remote Similarity 0.5798 NPC75540
Remote Similarity 0.5798 NPC212376
Remote Similarity 0.5798 NPC470507
Remote Similarity 0.5798 NPC38736
Remote Similarity 0.5798 NPC70922
Remote Similarity 0.5795 NPC273532
Remote Similarity 0.5795 NPC179365
Remote Similarity 0.5795 NPC475450
Remote Similarity 0.5792 NPC194040
Remote Similarity 0.5792 NPC62749
Remote Similarity 0.5792 NPC235684
Remote Similarity 0.5792 NPC160381
Remote Similarity 0.5787 NPC84347
Remote Similarity 0.5787 NPC204303
Remote Similarity 0.5784 NPC154339
Remote Similarity 0.5781 NPC476118
Remote Similarity 0.5781 NPC311276
Remote Similarity 0.5779 NPC15840
Remote Similarity 0.5775 NPC14101
Remote Similarity 0.5773 NPC149014
Remote Similarity 0.5769 NPC476454
Remote Similarity 0.5769 NPC141454
Remote Similarity 0.5767 NPC469785
Remote Similarity 0.5767 NPC169586
Remote Similarity 0.5765 NPC191310
Remote Similarity 0.5763 NPC473930
Remote Similarity 0.5759 NPC279918

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  253.00
ALogP  1.1299
MLogP  2.12
XLogP  2.782
HDA  3
HBD  1
Rotatable Bonds  5
TPSA  78.43
RO5 Violation  0