Drug Information

Drug ID:  NPD1170
Drug Name:  Bromosalicychloranilidine
Molecular Formula:  C13H9BrClNO2
Canonical SMILES:  Clc1ccc(cc1)NC(=O)c1cc(Br)ccc1O
Standard InCHI:  InChI=1S/C13H9BrClNO2/c14-8-1-6-12(17)11(7-8)13(18)16-10-4-2-9(15)3-5-10/h1-7,17H,(H,16,18)
Standard InCHIKey:  QBSGXIBYUQJHMJ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1170

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 0.7278 NPC471778
Intermediate Similarity 0.7095 NPC199737
Intermediate Similarity 0.7056 NPC204867
Remote Similarity 0.6923 NPC316574
Remote Similarity 0.6865 NPC112336
Remote Similarity 0.6865 NPC474814
Remote Similarity 0.686 NPC301702
Remote Similarity 0.68 NPC146370
Remote Similarity 0.678 NPC144691
Remote Similarity 0.6744 NPC181526
Remote Similarity 0.6744 NPC242933
Remote Similarity 0.6736 NPC150308
Remote Similarity 0.6686 NPC323798
Remote Similarity 0.6649 NPC298320
Remote Similarity 0.6647 NPC253476
Remote Similarity 0.658 NPC471785
Remote Similarity 0.6514 NPC43477
Remote Similarity 0.6508 NPC126676
Remote Similarity 0.6508 NPC469671
Remote Similarity 0.6474 NPC73280
Remote Similarity 0.6452 NPC475983
Remote Similarity 0.6425 NPC474815
Remote Similarity 0.6417 NPC139506
Remote Similarity 0.6417 NPC292143
Remote Similarity 0.6404 NPC130797
Remote Similarity 0.6364 NPC204156
Remote Similarity 0.6364 NPC314252
Remote Similarity 0.6364 NPC47986
Remote Similarity 0.6359 NPC288759
Remote Similarity 0.6354 NPC237649
Remote Similarity 0.6354 NPC300596
Remote Similarity 0.6349 NPC471652
Remote Similarity 0.6349 NPC182131
Remote Similarity 0.6318 NPC114039
Remote Similarity 0.6318 NPC206109
Remote Similarity 0.6279 NPC314098
Remote Similarity 0.6265 NPC130931
Remote Similarity 0.6258 NPC160179
Remote Similarity 0.625 NPC18890
Remote Similarity 0.625 NPC43218
Remote Similarity 0.6242 NPC229353
Remote Similarity 0.6237 NPC225857
Remote Similarity 0.623 NPC13526
Remote Similarity 0.6229 NPC173295
Remote Similarity 0.622 NPC313112
Remote Similarity 0.622 NPC301292
Remote Similarity 0.6215 NPC238412
Remote Similarity 0.6209 NPC86834
Remote Similarity 0.6209 NPC210828
Remote Similarity 0.6201 NPC472241
Remote Similarity 0.6188 NPC92803
Remote Similarity 0.6185 NPC474087
Remote Similarity 0.6168 NPC150323
Remote Similarity 0.6161 NPC119006
Remote Similarity 0.6159 NPC222982
Remote Similarity 0.6138 NPC93653
Remote Similarity 0.6134 NPC247980
Remote Similarity 0.6121 NPC23294
Remote Similarity 0.612 NPC315829
Remote Similarity 0.6117 NPC41488
Remote Similarity 0.6105 NPC88970
Remote Similarity 0.6103 NPC470548
Remote Similarity 0.6103 NPC475594
Remote Similarity 0.6099 NPC472242
Remote Similarity 0.6089 NPC238108
Remote Similarity 0.6089 NPC472243
Remote Similarity 0.6075 NPC303951
Remote Similarity 0.6071 NPC475607
Remote Similarity 0.6068 NPC170333
Remote Similarity 0.6062 NPC141523
Remote Similarity 0.6061 NPC283810
Remote Similarity 0.6058 NPC241263
Remote Similarity 0.6054 NPC241392
Remote Similarity 0.6053 NPC35042
Remote Similarity 0.6048 NPC15987
Remote Similarity 0.6042 NPC299582
Remote Similarity 0.6042 NPC471130
Remote Similarity 0.6041 NPC474081
Remote Similarity 0.6034 NPC194562
Remote Similarity 0.6025 NPC224584
Remote Similarity 0.6023 NPC192533
Remote Similarity 0.6022 NPC13696
Remote Similarity 0.601 NPC94174
Remote Similarity 0.601 NPC475761
Remote Similarity 0.601 NPC474041
Remote Similarity 0.6009 NPC3207
Remote Similarity 0.6 NPC197766
Remote Similarity 0.6 NPC268534
Remote Similarity 0.6 NPC471236
Remote Similarity 0.5991 NPC279189
Remote Similarity 0.5991 NPC200553
Remote Similarity 0.599 NPC189116
Remote Similarity 0.5988 NPC473372
Remote Similarity 0.5988 NPC205946
Remote Similarity 0.5981 NPC317727
Remote Similarity 0.5966 NPC48909
Remote Similarity 0.5965 NPC254698
Remote Similarity 0.5963 NPC298449
Remote Similarity 0.5962 NPC316282
Remote Similarity 0.596 NPC9475
Remote Similarity 0.5955 NPC174576
Remote Similarity 0.5955 NPC247803
Remote Similarity 0.5954 NPC250476
Remote Similarity 0.5952 NPC184527
Remote Similarity 0.5951 NPC471487
Remote Similarity 0.5951 NPC1820
Remote Similarity 0.595 NPC288305
Remote Similarity 0.5946 NPC329830
Remote Similarity 0.5943 NPC196034
Remote Similarity 0.5939 NPC303225
Remote Similarity 0.5938 NPC257763
Remote Similarity 0.5936 NPC264400
Remote Similarity 0.5935 NPC198160
Remote Similarity 0.593 NPC226794
Remote Similarity 0.5926 NPC474366
Remote Similarity 0.5915 NPC133156
Remote Similarity 0.5913 NPC162002
Remote Similarity 0.5909 NPC471743
Remote Similarity 0.5909 NPC231382
Remote Similarity 0.5909 NPC120251
Remote Similarity 0.5906 NPC268348
Remote Similarity 0.5902 NPC308197
Remote Similarity 0.5902 NPC474059
Remote Similarity 0.5901 NPC150239
Remote Similarity 0.5899 NPC218303
Remote Similarity 0.5899 NPC266425
Remote Similarity 0.5886 NPC209389
Remote Similarity 0.5886 NPC122235
Remote Similarity 0.5882 NPC233282
Remote Similarity 0.5882 NPC179605
Remote Similarity 0.5882 NPC279385
Remote Similarity 0.587 NPC297322
Remote Similarity 0.587 NPC174489
Remote Similarity 0.5866 NPC473360
Remote Similarity 0.5864 NPC303264
Remote Similarity 0.5864 NPC67658
Remote Similarity 0.586 NPC270918
Remote Similarity 0.586 NPC477999
Remote Similarity 0.5856 NPC177967
Remote Similarity 0.5856 NPC181527
Remote Similarity 0.5856 NPC471237
Remote Similarity 0.5855 NPC133470
Remote Similarity 0.5855 NPC289776
Remote Similarity 0.5855 NPC191863
Remote Similarity 0.5848 NPC297186
Remote Similarity 0.5848 NPC103292
Remote Similarity 0.5843 NPC11173
Remote Similarity 0.5843 NPC59387
Remote Similarity 0.5842 NPC470317
Remote Similarity 0.5838 NPC471648
Remote Similarity 0.5837 NPC303214
Remote Similarity 0.5833 NPC39679
Remote Similarity 0.5833 NPC207873
Remote Similarity 0.5833 NPC100573
Remote Similarity 0.5833 NPC90185
Remote Similarity 0.583 NPC174760
Remote Similarity 0.5829 NPC305717
Remote Similarity 0.5828 NPC100551
Remote Similarity 0.5826 NPC295479
Remote Similarity 0.5826 NPC220241
Remote Similarity 0.5826 NPC9894
Remote Similarity 0.5825 NPC144381
Remote Similarity 0.5825 NPC45389
Remote Similarity 0.5824 NPC195262
Remote Similarity 0.5824 NPC188814
Remote Similarity 0.5824 NPC315051
Remote Similarity 0.5821 NPC166169
Remote Similarity 0.5819 NPC26641
Remote Similarity 0.5818 NPC176113
Remote Similarity 0.5814 NPC73532
Remote Similarity 0.5814 NPC156139
Remote Similarity 0.5814 NPC19174
Remote Similarity 0.5814 NPC45438
Remote Similarity 0.5814 NPC224273
Remote Similarity 0.5814 NPC267552
Remote Similarity 0.5814 NPC143427
Remote Similarity 0.5814 NPC115159
Remote Similarity 0.581 NPC243404
Remote Similarity 0.581 NPC474473
Remote Similarity 0.5808 NPC14288
Remote Similarity 0.5806 NPC270848
Remote Similarity 0.5806 NPC272868
Remote Similarity 0.5806 NPC122599
Remote Similarity 0.5805 NPC206186
Remote Similarity 0.5805 NPC473815
Remote Similarity 0.5803 NPC27904
Remote Similarity 0.5801 NPC33064
Remote Similarity 0.5799 NPC116178
Remote Similarity 0.5797 NPC203628
Remote Similarity 0.5792 NPC197335
Remote Similarity 0.5792 NPC74969
Remote Similarity 0.5787 NPC283117
Remote Similarity 0.5787 NPC212123
Remote Similarity 0.5787 NPC222561
Remote Similarity 0.5782 NPC234933
Remote Similarity 0.5781 NPC469428
Remote Similarity 0.578 NPC133909
Remote Similarity 0.578 NPC32032
Remote Similarity 0.578 NPC300274
Remote Similarity 0.5778 NPC478141

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  324.95
ALogP  0.538
MLogP  2.34
XLogP  4.151
HDA  2
HBD  2
Rotatable Bonds  6
TPSA  49.33
RO5 Violation  0