Drug Information

Drug ID:  NPD9268
Drug Name:  Bismuth Subgallate
Molecular Formula:  C7H6O5.Bi.H2O
Canonical SMILES:  OC(=O)c1cc([O-])c(c(c1)[O-])[O-].O.[Bi+3]
Standard InCHI:  InChI=1S/C7H6O5.Bi.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;/h1-2,8-10H,(H,11,12);;1H2/q;+3;/p-3
Standard InCHIKey:  JAONZGLTYYUPCT-UHFFFAOYSA-K
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9268

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 0.9652 NPC225710
High Similarity 0.9138 NPC156654
High Similarity 0.9115 NPC98543
High Similarity 0.9091 NPC214620
High Similarity 0.8952 NPC264145
High Similarity 0.881 NPC156124
High Similarity 0.881 NPC1321
High Similarity 0.881 NPC304929
High Similarity 0.874 NPC155098
High Similarity 0.8672 NPC18646
High Similarity 0.8629 NPC107672
High Similarity 0.8605 NPC156892
High Similarity 0.8571 NPC241089
High Similarity 0.8538 NPC95679
High Similarity 0.8538 NPC112068
High Similarity 0.8538 NPC25305
High Similarity 0.8538 NPC110899
High Similarity 0.8538 NPC125417
Intermediate Similarity 0.8496 NPC184658
Intermediate Similarity 0.848 NPC158654
Intermediate Similarity 0.8473 NPC239943
Intermediate Similarity 0.8473 NPC207516
Intermediate Similarity 0.843 NPC260837
Intermediate Similarity 0.8425 NPC299010
Intermediate Similarity 0.8421 NPC29883
Intermediate Similarity 0.8409 NPC105525
Intermediate Similarity 0.8409 NPC225036
Intermediate Similarity 0.8409 NPC12218
Intermediate Similarity 0.8409 NPC75763
Intermediate Similarity 0.8361 NPC248363
Intermediate Similarity 0.8359 NPC34070
Intermediate Similarity 0.8359 NPC469526
Intermediate Similarity 0.8346 NPC94810
Intermediate Similarity 0.8346 NPC226855
Intermediate Similarity 0.8333 NPC209959
Intermediate Similarity 0.8333 NPC187913
Intermediate Similarity 0.832 NPC262671
Intermediate Similarity 0.832 NPC201728
Intermediate Similarity 0.8319 NPC4665
Intermediate Similarity 0.8295 NPC135801
Intermediate Similarity 0.8281 NPC285776
Intermediate Similarity 0.8281 NPC26697
Intermediate Similarity 0.8271 NPC471819
Intermediate Similarity 0.824 NPC145134
Intermediate Similarity 0.8231 NPC288743
Intermediate Similarity 0.8182 NPC223836
Intermediate Similarity 0.8182 NPC150919
Intermediate Similarity 0.8175 NPC10926
Intermediate Similarity 0.8167 NPC278102
Intermediate Similarity 0.8162 NPC114242
Intermediate Similarity 0.8162 NPC229036
Intermediate Similarity 0.8162 NPC22176
Intermediate Similarity 0.8162 NPC121573
Intermediate Similarity 0.8162 NPC134975
Intermediate Similarity 0.8162 NPC50221
Intermediate Similarity 0.8162 NPC226738
Intermediate Similarity 0.8162 NPC190587
Intermediate Similarity 0.8154 NPC111888
Intermediate Similarity 0.8151 NPC223004
Intermediate Similarity 0.814 NPC233056
Intermediate Similarity 0.8125 NPC41263
Intermediate Similarity 0.811 NPC8745
Intermediate Similarity 0.8106 NPC208760
Intermediate Similarity 0.8102 NPC108455
Intermediate Similarity 0.8099 NPC312800
Intermediate Similarity 0.8095 NPC13238
Intermediate Similarity 0.8092 NPC239855
Intermediate Similarity 0.8092 NPC159418
Intermediate Similarity 0.8092 NPC283823
Intermediate Similarity 0.8049 NPC158222
Intermediate Similarity 0.8047 NPC156539
Intermediate Similarity 0.8043 NPC262282
Intermediate Similarity 0.8033 NPC230349
Intermediate Similarity 0.803 NPC248150
Intermediate Similarity 0.803 NPC204582
Intermediate Similarity 0.803 NPC237330
Intermediate Similarity 0.803 NPC45404
Intermediate Similarity 0.8 NPC17840
Intermediate Similarity 0.8 NPC247477
Intermediate Similarity 0.7984 NPC179898
Intermediate Similarity 0.7984 NPC159525
Intermediate Similarity 0.797 NPC129752
Intermediate Similarity 0.797 NPC274613
Intermediate Similarity 0.7969 NPC154275
Intermediate Similarity 0.7969 NPC95309
Intermediate Similarity 0.7967 NPC40649
Intermediate Similarity 0.7967 NPC209486
Intermediate Similarity 0.7967 NPC283844
Intermediate Similarity 0.7939 NPC198249
Intermediate Similarity 0.7939 NPC219892
Intermediate Similarity 0.7939 NPC189823
Intermediate Similarity 0.7937 NPC297193
Intermediate Similarity 0.7929 NPC43123
Intermediate Similarity 0.7929 NPC120621
Intermediate Similarity 0.7929 NPC142528
Intermediate Similarity 0.7929 NPC248257
Intermediate Similarity 0.7926 NPC175552
Intermediate Similarity 0.792 NPC146642
Intermediate Similarity 0.791 NPC264112
Intermediate Similarity 0.791 NPC156307
Intermediate Similarity 0.791 NPC475111
Intermediate Similarity 0.791 NPC194764
Intermediate Similarity 0.791 NPC65005
Intermediate Similarity 0.7903 NPC161617
Intermediate Similarity 0.7899 NPC222084
Intermediate Similarity 0.7872 NPC471907
Intermediate Similarity 0.7872 NPC107636
Intermediate Similarity 0.7872 NPC92117
Intermediate Similarity 0.7872 NPC75945
Intermediate Similarity 0.7872 NPC42464
Intermediate Similarity 0.7868 NPC4796
Intermediate Similarity 0.7863 NPC244441
Intermediate Similarity 0.7863 NPC147757
Intermediate Similarity 0.7863 NPC317592
Intermediate Similarity 0.7857 NPC73532
Intermediate Similarity 0.7857 NPC45438
Intermediate Similarity 0.7857 NPC224273
Intermediate Similarity 0.7857 NPC268366
Intermediate Similarity 0.7857 NPC143427
Intermediate Similarity 0.7857 NPC267552
Intermediate Similarity 0.7857 NPC115159
Intermediate Similarity 0.7857 NPC19174
Intermediate Similarity 0.7852 NPC170742
Intermediate Similarity 0.7852 NPC290030
Intermediate Similarity 0.7846 NPC79332
Intermediate Similarity 0.7846 NPC304747
Intermediate Similarity 0.7842 NPC257025
Intermediate Similarity 0.784 NPC294037
Intermediate Similarity 0.7836 NPC72918
Intermediate Similarity 0.782 NPC153783
Intermediate Similarity 0.782 NPC48036
Intermediate Similarity 0.782 NPC180261
Intermediate Similarity 0.782 NPC37299
Intermediate Similarity 0.7817 NPC306343
Intermediate Similarity 0.7817 NPC473091
Intermediate Similarity 0.781 NPC203063
Intermediate Similarity 0.7805 NPC131192
Intermediate Similarity 0.7795 NPC133909
Intermediate Similarity 0.7795 NPC32032
Intermediate Similarity 0.7794 NPC112135
Intermediate Similarity 0.7787 NPC81808
Intermediate Similarity 0.7778 NPC297186
Intermediate Similarity 0.7778 NPC165197
Intermediate Similarity 0.7778 NPC149246
Intermediate Similarity 0.777 NPC238629
Intermediate Similarity 0.7769 NPC324209
Intermediate Similarity 0.7762 NPC252979
Intermediate Similarity 0.7762 NPC140151
Intermediate Similarity 0.7761 NPC175943
Intermediate Similarity 0.7754 NPC290550
Intermediate Similarity 0.7752 NPC173608
Intermediate Similarity 0.7752 NPC477454
Intermediate Similarity 0.7744 NPC478190
Intermediate Similarity 0.7737 NPC472903
Intermediate Similarity 0.7731 NPC100551
Intermediate Similarity 0.7727 NPC42292
Intermediate Similarity 0.7727 NPC307732
Intermediate Similarity 0.7717 NPC156139
Intermediate Similarity 0.7717 NPC215392
Intermediate Similarity 0.7717 NPC242895
Intermediate Similarity 0.7717 NPC25168
Intermediate Similarity 0.7712 NPC1075
Intermediate Similarity 0.7712 NPC1786
Intermediate Similarity 0.7712 NPC294902
Intermediate Similarity 0.771 NPC293453
Intermediate Similarity 0.7708 NPC221249
Intermediate Similarity 0.7708 NPC75695
Intermediate Similarity 0.7705 NPC162113
Intermediate Similarity 0.7705 NPC62546
Intermediate Similarity 0.7705 NPC148969
Intermediate Similarity 0.7704 NPC278375
Intermediate Similarity 0.7704 NPC182496
Intermediate Similarity 0.7704 NPC180905
Intermediate Similarity 0.7704 NPC290803
Intermediate Similarity 0.7698 NPC312256
Intermediate Similarity 0.7698 NPC299154
Intermediate Similarity 0.7692 NPC473691
Intermediate Similarity 0.7692 NPC9099
Intermediate Similarity 0.7681 NPC50823
Intermediate Similarity 0.7681 NPC326065
Intermediate Similarity 0.7681 NPC290664
Intermediate Similarity 0.768 NPC63126
Intermediate Similarity 0.768 NPC27633
Intermediate Similarity 0.768 NPC94298
Intermediate Similarity 0.768 NPC273282
Intermediate Similarity 0.768 NPC474890
Intermediate Similarity 0.768 NPC161943
Intermediate Similarity 0.7676 NPC476463
Intermediate Similarity 0.7674 NPC85565
Intermediate Similarity 0.7664 NPC278068
Intermediate Similarity 0.7664 NPC472403
Intermediate Similarity 0.7664 NPC219428
Intermediate Similarity 0.7664 NPC37250
Intermediate Similarity 0.7664 NPC177307
Intermediate Similarity 0.7664 NPC9121
Intermediate Similarity 0.7664 NPC123714
Intermediate Similarity 0.7664 NPC302857
Intermediate Similarity 0.7664 NPC142703
Intermediate Similarity 0.7664 NPC152942
Intermediate Similarity 0.7664 NPC257173

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  167.00
ALogP  -2.6221
MLogP  1.68
XLogP  0.002
HDA  2
HBD  1
Rotatable Bonds  5
TPSA  106.48
RO5 Violation  0