Drug Information

Drug ID:  NPD9269
Drug Name:  Gallic Acid
Molecular Formula:  C7H6O5
Canonical SMILES:  OC(=O)c1cc(O)c(c(c1)O)O
Standard InCHI:  InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
Standard InCHIKey:  LNTHITQWFMADLM-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9269

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 1.0 NPC225710
High Similarity 0.9483 NPC156654
High Similarity 0.9421 NPC214620
High Similarity 0.9274 NPC264145
High Similarity 0.913 NPC98543
High Similarity 0.9127 NPC156124
High Similarity 0.9127 NPC1321
High Similarity 0.9127 NPC304929
High Similarity 0.8984 NPC18646
High Similarity 0.8952 NPC107672
High Similarity 0.8915 NPC156892
High Similarity 0.8846 NPC125417
High Similarity 0.8846 NPC25305
High Similarity 0.8846 NPC95679
High Similarity 0.8846 NPC112068
High Similarity 0.8846 NPC110899
High Similarity 0.88 NPC158654
High Similarity 0.8779 NPC239943
High Similarity 0.876 NPC260837
High Similarity 0.8712 NPC225036
High Similarity 0.8712 NPC12218
High Similarity 0.8712 NPC105525
High Similarity 0.8712 NPC75763
High Similarity 0.8672 NPC469526
High Similarity 0.8672 NPC34070
High Similarity 0.8661 NPC94810
High Similarity 0.8661 NPC226855
High Similarity 0.8655 NPC4665
High Similarity 0.8615 NPC155098
High Similarity 0.8605 NPC135801
High Similarity 0.8595 NPC241089
High Similarity 0.8594 NPC26697
High Similarity 0.8571 NPC471819
High Similarity 0.8512 NPC150919
High Similarity 0.85 NPC278102
Intermediate Similarity 0.8485 NPC223836
Intermediate Similarity 0.8462 NPC111888
Intermediate Similarity 0.8456 NPC114242
Intermediate Similarity 0.8456 NPC121573
Intermediate Similarity 0.8456 NPC229036
Intermediate Similarity 0.8456 NPC22176
Intermediate Similarity 0.8456 NPC190587
Intermediate Similarity 0.8456 NPC50221
Intermediate Similarity 0.8456 NPC134975
Intermediate Similarity 0.8456 NPC226738
Intermediate Similarity 0.845 NPC233056
Intermediate Similarity 0.8448 NPC29883
Intermediate Similarity 0.8409 NPC208760
Intermediate Similarity 0.8397 NPC239855
Intermediate Similarity 0.8397 NPC283823
Intermediate Similarity 0.8397 NPC159418
Intermediate Similarity 0.8394 NPC108455
Intermediate Similarity 0.8387 NPC248363
Intermediate Similarity 0.8362 NPC184658
Intermediate Similarity 0.8362 NPC187913
Intermediate Similarity 0.8359 NPC209959
Intermediate Similarity 0.8359 NPC156539
Intermediate Similarity 0.8358 NPC207516
Intermediate Similarity 0.8346 NPC262671
Intermediate Similarity 0.8346 NPC201728
Intermediate Similarity 0.8333 NPC248150
Intermediate Similarity 0.8333 NPC204582
Intermediate Similarity 0.8333 NPC237330
Intermediate Similarity 0.8333 NPC262282
Intermediate Similarity 0.8308 NPC299010
Intermediate Similarity 0.8271 NPC274613
Intermediate Similarity 0.8271 NPC129752
Intermediate Similarity 0.8235 NPC222084
Intermediate Similarity 0.8222 NPC175552
Intermediate Similarity 0.8214 NPC120621
Intermediate Similarity 0.8214 NPC43123
Intermediate Similarity 0.8214 NPC248257
Intermediate Similarity 0.8214 NPC142528
Intermediate Similarity 0.8209 NPC475111
Intermediate Similarity 0.8209 NPC156307
Intermediate Similarity 0.8209 NPC65005
Intermediate Similarity 0.8209 NPC194764
Intermediate Similarity 0.8209 NPC264112
Intermediate Similarity 0.8203 NPC10926
Intermediate Similarity 0.8182 NPC223004
Intermediate Similarity 0.8168 NPC244441
Intermediate Similarity 0.8168 NPC285776
Intermediate Similarity 0.8162 NPC4796
Intermediate Similarity 0.8156 NPC92117
Intermediate Similarity 0.8156 NPC42464
Intermediate Similarity 0.8156 NPC107636
Intermediate Similarity 0.8156 NPC75945
Intermediate Similarity 0.8156 NPC471907
Intermediate Similarity 0.8154 NPC41263
Intermediate Similarity 0.8148 NPC290030
Intermediate Similarity 0.8148 NPC170742
Intermediate Similarity 0.8143 NPC268366
Intermediate Similarity 0.814 NPC8745
Intermediate Similarity 0.8134 NPC72918
Intermediate Similarity 0.813 NPC312800
Intermediate Similarity 0.8129 NPC257025
Intermediate Similarity 0.8125 NPC13238
Intermediate Similarity 0.8125 NPC145134
Intermediate Similarity 0.812 NPC288743
Intermediate Similarity 0.8102 NPC203063
Intermediate Similarity 0.8099 NPC306343
Intermediate Similarity 0.8088 NPC112135
Intermediate Similarity 0.808 NPC158222
Intermediate Similarity 0.8077 NPC324209
Intermediate Similarity 0.8065 NPC230349
Intermediate Similarity 0.8058 NPC238629
Intermediate Similarity 0.8051 NPC1786
Intermediate Similarity 0.8051 NPC1075
Intermediate Similarity 0.8051 NPC294902
Intermediate Similarity 0.8042 NPC252979
Intermediate Similarity 0.8042 NPC140151
Intermediate Similarity 0.8033 NPC148969
Intermediate Similarity 0.803 NPC17840
Intermediate Similarity 0.803 NPC247477
Intermediate Similarity 0.8029 NPC472903
Intermediate Similarity 0.8016 NPC159525
Intermediate Similarity 0.8015 NPC179898
Intermediate Similarity 0.8 NPC63126
Intermediate Similarity 0.8 NPC209486
Intermediate Similarity 0.8 NPC95309
Intermediate Similarity 0.8 NPC283844
Intermediate Similarity 0.8 NPC40649
Intermediate Similarity 0.7986 NPC312256
Intermediate Similarity 0.7986 NPC221249
Intermediate Similarity 0.7986 NPC75695
Intermediate Similarity 0.7986 NPC299154
Intermediate Similarity 0.7984 NPC85565
Intermediate Similarity 0.7972 NPC9099
Intermediate Similarity 0.7971 NPC50823
Intermediate Similarity 0.7971 NPC326065
Intermediate Similarity 0.7971 NPC290664
Intermediate Similarity 0.797 NPC198249
Intermediate Similarity 0.797 NPC219892
Intermediate Similarity 0.797 NPC189823
Intermediate Similarity 0.7969 NPC297193
Intermediate Similarity 0.7958 NPC476463
Intermediate Similarity 0.7956 NPC152942
Intermediate Similarity 0.7956 NPC302857
Intermediate Similarity 0.7956 NPC257173
Intermediate Similarity 0.7956 NPC37250
Intermediate Similarity 0.7956 NPC123714
Intermediate Similarity 0.7956 NPC142703
Intermediate Similarity 0.7956 NPC278068
Intermediate Similarity 0.7956 NPC219428
Intermediate Similarity 0.7953 NPC146642
Intermediate Similarity 0.7941 NPC326847
Intermediate Similarity 0.7939 NPC473787
Intermediate Similarity 0.7937 NPC161617
Intermediate Similarity 0.7931 NPC44260
Intermediate Similarity 0.7931 NPC16024
Intermediate Similarity 0.7931 NPC3746
Intermediate Similarity 0.7931 NPC205037
Intermediate Similarity 0.7931 NPC61152
Intermediate Similarity 0.7931 NPC105827
Intermediate Similarity 0.7931 NPC310661
Intermediate Similarity 0.7929 NPC287722
Intermediate Similarity 0.7926 NPC45404
Intermediate Similarity 0.792 NPC28169
Intermediate Similarity 0.7917 NPC96501
Intermediate Similarity 0.7914 NPC472904
Intermediate Similarity 0.7914 NPC91546
Intermediate Similarity 0.7914 NPC110419
Intermediate Similarity 0.7899 NPC474875
Intermediate Similarity 0.7899 NPC26241
Intermediate Similarity 0.7899 NPC295492
Intermediate Similarity 0.7899 NPC317592
Intermediate Similarity 0.7899 NPC303683
Intermediate Similarity 0.7899 NPC274891
Intermediate Similarity 0.7899 NPC476819
Intermediate Similarity 0.7899 NPC476820
Intermediate Similarity 0.7899 NPC205751
Intermediate Similarity 0.7895 NPC147757
Intermediate Similarity 0.7891 NPC115159
Intermediate Similarity 0.7891 NPC45438
Intermediate Similarity 0.7891 NPC143427
Intermediate Similarity 0.7891 NPC224273
Intermediate Similarity 0.7891 NPC322332
Intermediate Similarity 0.7891 NPC73532
Intermediate Similarity 0.7891 NPC267552
Intermediate Similarity 0.7891 NPC19174
Intermediate Similarity 0.7887 NPC165389
Intermediate Similarity 0.7887 NPC138978
Intermediate Similarity 0.7879 NPC234175
Intermediate Similarity 0.7879 NPC79332
Intermediate Similarity 0.7877 NPC281703
Intermediate Similarity 0.7877 NPC125487
Intermediate Similarity 0.7874 NPC294037
Intermediate Similarity 0.7872 NPC105213
Intermediate Similarity 0.7872 NPC207732
Intermediate Similarity 0.7872 NPC142165
Intermediate Similarity 0.7863 NPC154275
Intermediate Similarity 0.7862 NPC92747
Intermediate Similarity 0.7862 NPC265862
Intermediate Similarity 0.7857 NPC314271
Intermediate Similarity 0.7857 NPC291078
Intermediate Similarity 0.7857 NPC284556
Intermediate Similarity 0.7857 NPC301178
Intermediate Similarity 0.7852 NPC200422
Intermediate Similarity 0.7852 NPC289572
Intermediate Similarity 0.7852 NPC48036

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  170.02
ALogP  -1.6207
MLogP  1.68
XLogP  0.002
HDA  2
HBD  4
Rotatable Bonds  5
TPSA  97.99
RO5 Violation  0