Drug Information

Drug ID:  NPD9094
Drug Name:  Pyrogallol
Molecular Formula:  C6H6O3
Canonical SMILES:  Oc1c(O)cccc1O
Standard InCHI:  InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
Standard InCHIKey:  WQGWDDDVZFFDIG-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9094

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 NPC280254
High Similarity 0.9647 NPC288923
High Similarity 0.9268 NPC270094
High Similarity 0.9146 NPC4154
High Similarity 0.9146 NPC204932
Intermediate Similarity 0.8454 NPC307875
Intermediate Similarity 0.8293 NPC100980
Intermediate Similarity 0.8283 NPC124712
Intermediate Similarity 0.8283 NPC176527
Intermediate Similarity 0.82 NPC105727
Intermediate Similarity 0.82 NPC114392
Intermediate Similarity 0.82 NPC34864
Intermediate Similarity 0.82 NPC58427
Intermediate Similarity 0.8118 NPC65517
Intermediate Similarity 0.8085 NPC16649
Intermediate Similarity 0.7979 NPC295295
Intermediate Similarity 0.7961 NPC268032
Intermediate Similarity 0.7895 NPC114325
Intermediate Similarity 0.7835 NPC291789
Intermediate Similarity 0.7822 NPC232654
Intermediate Similarity 0.7812 NPC107522
Intermediate Similarity 0.7755 NPC80027
Intermediate Similarity 0.7692 NPC247871
Intermediate Similarity 0.7677 NPC166761
Intermediate Similarity 0.7677 NPC248573
Intermediate Similarity 0.7677 NPC275053
Intermediate Similarity 0.7677 NPC161571
Intermediate Similarity 0.7677 NPC10588
Intermediate Similarity 0.7653 NPC109955
Intermediate Similarity 0.7624 NPC12278
Intermediate Similarity 0.76 NPC100340
Intermediate Similarity 0.76 NPC72947
Intermediate Similarity 0.76 NPC284011
Intermediate Similarity 0.76 NPC143659
Intermediate Similarity 0.7576 NPC131587
Intermediate Similarity 0.7576 NPC314803
Intermediate Similarity 0.7525 NPC53051
Intermediate Similarity 0.7525 NPC146798
Intermediate Similarity 0.7525 NPC71002
Intermediate Similarity 0.7525 NPC168303
Intermediate Similarity 0.7525 NPC242342
Intermediate Similarity 0.7525 NPC302219
Intermediate Similarity 0.7525 NPC94351
Intermediate Similarity 0.7525 NPC24404
Intermediate Similarity 0.7525 NPC106396
Intermediate Similarity 0.7525 NPC222522
Intermediate Similarity 0.7525 NPC313030
Intermediate Similarity 0.7525 NPC249828
Intermediate Similarity 0.7525 NPC85479
Intermediate Similarity 0.7523 NPC259638
Intermediate Similarity 0.75 NPC472893
Intermediate Similarity 0.75 NPC223393
Intermediate Similarity 0.7474 NPC302546
Intermediate Similarity 0.7455 NPC144343
Intermediate Similarity 0.7451 NPC241891
Intermediate Similarity 0.7451 NPC30506
Intermediate Similarity 0.7451 NPC102216
Intermediate Similarity 0.7451 NPC119860
Intermediate Similarity 0.7431 NPC193067
Intermediate Similarity 0.7426 NPC137415
Intermediate Similarity 0.7426 NPC166313
Intermediate Similarity 0.7426 NPC24407
Intermediate Similarity 0.7426 NPC147310
Intermediate Similarity 0.7426 NPC192032
Intermediate Similarity 0.7426 NPC11280
Intermediate Similarity 0.7426 NPC294186
Intermediate Similarity 0.7426 NPC110764
Intermediate Similarity 0.7412 NPC215445
Intermediate Similarity 0.7396 NPC300478
Intermediate Similarity 0.7396 NPC47950
Intermediate Similarity 0.7387 NPC217174
Intermediate Similarity 0.7387 NPC20674
Intermediate Similarity 0.7387 NPC226629
Intermediate Similarity 0.7379 NPC292452
Intermediate Similarity 0.7379 NPC474839
Intermediate Similarity 0.7379 NPC134829
Intermediate Similarity 0.7368 NPC47422
Intermediate Similarity 0.7364 NPC151617
Intermediate Similarity 0.7364 NPC76915
Intermediate Similarity 0.7364 NPC277588
Intermediate Similarity 0.7353 NPC477801
Intermediate Similarity 0.7353 NPC196479
Intermediate Similarity 0.7353 NPC477802
Intermediate Similarity 0.7321 NPC229401
Intermediate Similarity 0.7321 NPC232084
Intermediate Similarity 0.7321 NPC61516
Intermediate Similarity 0.7321 NPC10932
Intermediate Similarity 0.7321 NPC247364
Intermediate Similarity 0.7321 NPC472071
Intermediate Similarity 0.7312 NPC319826
Intermediate Similarity 0.7312 NPC33756
Intermediate Similarity 0.7312 NPC38459
Intermediate Similarity 0.7312 NPC124436
Intermediate Similarity 0.7312 NPC265146
Intermediate Similarity 0.7308 NPC473653
Intermediate Similarity 0.7308 NPC248904
Intermediate Similarity 0.7308 NPC470700
Intermediate Similarity 0.7308 NPC302681
Intermediate Similarity 0.7308 NPC39664
Intermediate Similarity 0.7308 NPC39097
Intermediate Similarity 0.7308 NPC118286
Intermediate Similarity 0.7308 NPC109691
Intermediate Similarity 0.7303 NPC322285
Intermediate Similarity 0.7282 NPC52087
Intermediate Similarity 0.7282 NPC120719
Intermediate Similarity 0.7282 NPC218879
Intermediate Similarity 0.7282 NPC79672
Intermediate Similarity 0.7282 NPC471511
Intermediate Similarity 0.7282 NPC244513
Intermediate Similarity 0.7282 NPC227458
Intermediate Similarity 0.7264 NPC71266
Intermediate Similarity 0.7257 NPC24125
Intermediate Similarity 0.7238 NPC54844
Intermediate Similarity 0.7238 NPC305603
Intermediate Similarity 0.7238 NPC61033
Intermediate Similarity 0.7238 NPC232523
Intermediate Similarity 0.7238 NPC204901
Intermediate Similarity 0.7238 NPC158253
Intermediate Similarity 0.7234 NPC286904
Intermediate Similarity 0.7234 NPC248817
Intermediate Similarity 0.7234 NPC150837
Intermediate Similarity 0.7234 NPC175313
Intermediate Similarity 0.7232 NPC191866
Intermediate Similarity 0.7232 NPC214289
Intermediate Similarity 0.7212 NPC37802
Intermediate Similarity 0.7212 NPC239291
Intermediate Similarity 0.7212 NPC246056
Intermediate Similarity 0.7193 NPC237667
Intermediate Similarity 0.7188 NPC157213
Intermediate Similarity 0.7188 NPC104216
Intermediate Similarity 0.717 NPC61885
Intermediate Similarity 0.717 NPC63698
Intermediate Similarity 0.717 NPC174981
Intermediate Similarity 0.7158 NPC155393
Intermediate Similarity 0.7158 NPC197783
Intermediate Similarity 0.7143 NPC164576
Intermediate Similarity 0.7143 NPC1075
Intermediate Similarity 0.7143 NPC1786
Intermediate Similarity 0.7143 NPC201662
Intermediate Similarity 0.7143 NPC99836
Intermediate Similarity 0.7143 NPC19149
Intermediate Similarity 0.7143 NPC294902
Intermediate Similarity 0.7143 NPC12640
Intermediate Similarity 0.7143 NPC477814
Intermediate Similarity 0.713 NPC474864
Intermediate Similarity 0.713 NPC71579
Intermediate Similarity 0.713 NPC473411
Intermediate Similarity 0.713 NPC41562
Intermediate Similarity 0.713 NPC262253
Intermediate Similarity 0.7105 NPC205850
Intermediate Similarity 0.7103 NPC33728
Intermediate Similarity 0.7103 NPC19808
Intermediate Similarity 0.7103 NPC202647
Intermediate Similarity 0.71 NPC313650
Intermediate Similarity 0.7083 NPC23167
Intermediate Similarity 0.7083 NPC407
Intermediate Similarity 0.7083 NPC184169
Intermediate Similarity 0.7083 NPC206876
Intermediate Similarity 0.7083 NPC307235
Intermediate Similarity 0.7069 NPC136319
Intermediate Similarity 0.7069 NPC121115
Intermediate Similarity 0.7069 NPC228922
Intermediate Similarity 0.7069 NPC238810
Intermediate Similarity 0.7069 NPC53567
Intermediate Similarity 0.7069 NPC84086
Intermediate Similarity 0.7069 NPC197757
Intermediate Similarity 0.7069 NPC95168
Intermediate Similarity 0.7043 NPC49341
Intermediate Similarity 0.7043 NPC39029
Intermediate Similarity 0.7043 NPC145780
Intermediate Similarity 0.7041 NPC300017
Intermediate Similarity 0.7041 NPC312304
Intermediate Similarity 0.7041 NPC277758
Intermediate Similarity 0.7037 NPC94045
Intermediate Similarity 0.7037 NPC475018
Intermediate Similarity 0.7018 NPC474565
Intermediate Similarity 0.701 NPC25493
Intermediate Similarity 0.701 NPC27974
Intermediate Similarity 0.701 NPC113460
Intermediate Similarity 0.7009 NPC5796
Intermediate Similarity 0.7009 NPC228972
Intermediate Similarity 0.7009 NPC221090
Intermediate Similarity 0.7009 NPC187958
Intermediate Similarity 0.7009 NPC183446
Intermediate Similarity 0.7009 NPC233835
Intermediate Similarity 0.7009 NPC206487
Intermediate Similarity 0.7009 NPC122792
Intermediate Similarity 0.7 NPC264558
Intermediate Similarity 0.7 NPC471485
Remote Similarity 0.6983 NPC105147
Remote Similarity 0.6983 NPC225710
Remote Similarity 0.6983 NPC135414
Remote Similarity 0.6983 NPC228875
Remote Similarity 0.6983 NPC246967
Remote Similarity 0.6983 NPC126216
Remote Similarity 0.6979 NPC252149
Remote Similarity 0.6972 NPC165770
Remote Similarity 0.6972 NPC476632
Remote Similarity 0.6972 NPC90520
Remote Similarity 0.6972 NPC224527

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  126.03
ALogP  -1.3809
MLogP  1.79
XLogP  0.765
HDA  0
HBD  3
Rotatable Bonds  3
TPSA  60.69
RO5 Violation  0