Drug Information

Drug ID:  NPD9093
Drug Name:  Phloroglucinol
Molecular Formula:  C6H6O3
Canonical SMILES:  Oc1cc(O)cc(c1)O
Standard InCHI:  InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
Standard InCHIKey:  QCDYQQDYXPDABM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9093

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 NPC4154
High Similarity 0.9868 NPC270094
High Similarity 0.9146 NPC280254
High Similarity 0.8824 NPC288923
High Similarity 0.8816 NPC100980
High Similarity 0.8621 NPC295295
High Similarity 0.8608 NPC65517
High Similarity 0.8523 NPC16649
Intermediate Similarity 0.8293 NPC204932
Intermediate Similarity 0.8242 NPC291789
Intermediate Similarity 0.8152 NPC80027
Intermediate Similarity 0.8065 NPC248573
Intermediate Similarity 0.8065 NPC166761
Intermediate Similarity 0.8065 NPC10588
Intermediate Similarity 0.8065 NPC275053
Intermediate Similarity 0.8065 NPC161571
Intermediate Similarity 0.7979 NPC166313
Intermediate Similarity 0.7979 NPC11280
Intermediate Similarity 0.7979 NPC137415
Intermediate Similarity 0.7979 NPC147310
Intermediate Similarity 0.7979 NPC294186
Intermediate Similarity 0.7979 NPC143659
Intermediate Similarity 0.7979 NPC100340
Intermediate Similarity 0.7979 NPC284011
Intermediate Similarity 0.7979 NPC24407
Intermediate Similarity 0.7979 NPC192032
Intermediate Similarity 0.7979 NPC72947
Intermediate Similarity 0.7955 NPC47422
Intermediate Similarity 0.7895 NPC146798
Intermediate Similarity 0.7895 NPC53051
Intermediate Similarity 0.7895 NPC71002
Intermediate Similarity 0.7895 NPC242342
Intermediate Similarity 0.7895 NPC168303
Intermediate Similarity 0.7895 NPC313030
Intermediate Similarity 0.7895 NPC302219
Intermediate Similarity 0.7895 NPC106396
Intermediate Similarity 0.7895 NPC222522
Intermediate Similarity 0.7895 NPC24404
Intermediate Similarity 0.7895 NPC94351
Intermediate Similarity 0.7895 NPC249828
Intermediate Similarity 0.7895 NPC85479
Intermediate Similarity 0.7865 NPC302546
Intermediate Similarity 0.7848 NPC215445
Intermediate Similarity 0.7812 NPC119860
Intermediate Similarity 0.7812 NPC30506
Intermediate Similarity 0.7812 NPC227458
Intermediate Similarity 0.7812 NPC241891
Intermediate Similarity 0.7812 NPC244513
Intermediate Similarity 0.7812 NPC102216
Intermediate Similarity 0.7812 NPC218879
Intermediate Similarity 0.7778 NPC47950
Intermediate Similarity 0.7778 NPC300478
Intermediate Similarity 0.7732 NPC134829
Intermediate Similarity 0.7732 NPC292452
Intermediate Similarity 0.7732 NPC474839
Intermediate Similarity 0.7732 NPC246056
Intermediate Similarity 0.7732 NPC37802
Intermediate Similarity 0.7732 NPC307875
Intermediate Similarity 0.7711 NPC322285
Intermediate Similarity 0.7701 NPC124436
Intermediate Similarity 0.7701 NPC265146
Intermediate Similarity 0.7701 NPC38459
Intermediate Similarity 0.7701 NPC319826
Intermediate Similarity 0.7701 NPC33756
Intermediate Similarity 0.7653 NPC109691
Intermediate Similarity 0.7653 NPC118286
Intermediate Similarity 0.7653 NPC473653
Intermediate Similarity 0.7653 NPC302681
Intermediate Similarity 0.7653 NPC470700
Intermediate Similarity 0.7653 NPC39097
Intermediate Similarity 0.7653 NPC248904
Intermediate Similarity 0.7653 NPC39664
Intermediate Similarity 0.7653 NPC12640
Intermediate Similarity 0.7653 NPC164576
Intermediate Similarity 0.7653 NPC201662
Intermediate Similarity 0.7653 NPC232654
Intermediate Similarity 0.7653 NPC99836
Intermediate Similarity 0.7614 NPC286904
Intermediate Similarity 0.7614 NPC150837
Intermediate Similarity 0.7614 NPC248817
Intermediate Similarity 0.7614 NPC175313
Intermediate Similarity 0.7576 NPC232523
Intermediate Similarity 0.7576 NPC124712
Intermediate Similarity 0.7576 NPC204901
Intermediate Similarity 0.7576 NPC158253
Intermediate Similarity 0.7576 NPC176527
Intermediate Similarity 0.7576 NPC54844
Intermediate Similarity 0.7576 NPC61033
Intermediate Similarity 0.7576 NPC305603
Intermediate Similarity 0.7556 NPC157213
Intermediate Similarity 0.7556 NPC104216
Intermediate Similarity 0.7528 NPC197783
Intermediate Similarity 0.7528 NPC155393
Intermediate Similarity 0.75 NPC114392
Intermediate Similarity 0.75 NPC187958
Intermediate Similarity 0.75 NPC61885
Intermediate Similarity 0.75 NPC174981
Intermediate Similarity 0.75 NPC58427
Intermediate Similarity 0.75 NPC105727
Intermediate Similarity 0.75 NPC34864
Intermediate Similarity 0.75 NPC63698
Intermediate Similarity 0.7447 NPC313650
Intermediate Similarity 0.7444 NPC407
Intermediate Similarity 0.7444 NPC23167
Intermediate Similarity 0.7444 NPC184169
Intermediate Similarity 0.7444 NPC307235
Intermediate Similarity 0.7426 NPC19808
Intermediate Similarity 0.7426 NPC202647
Intermediate Similarity 0.7426 NPC186385
Intermediate Similarity 0.7426 NPC33728
Intermediate Similarity 0.7426 NPC299568
Intermediate Similarity 0.7391 NPC312304
Intermediate Similarity 0.7391 NPC277758
Intermediate Similarity 0.7391 NPC300017
Intermediate Similarity 0.7363 NPC25493
Intermediate Similarity 0.7363 NPC113460
Intermediate Similarity 0.7363 NPC19680
Intermediate Similarity 0.7363 NPC27974
Intermediate Similarity 0.7353 NPC224870
Intermediate Similarity 0.7353 NPC43411
Intermediate Similarity 0.7353 NPC94045
Intermediate Similarity 0.7353 NPC242178
Intermediate Similarity 0.7353 NPC247871
Intermediate Similarity 0.7353 NPC168657
Intermediate Similarity 0.7353 NPC475018
Intermediate Similarity 0.7333 NPC252149
Intermediate Similarity 0.7312 NPC270547
Intermediate Similarity 0.7312 NPC45040
Intermediate Similarity 0.7292 NPC315921
Intermediate Similarity 0.7292 NPC88420
Intermediate Similarity 0.7283 NPC177420
Intermediate Similarity 0.7283 NPC98772
Intermediate Similarity 0.7283 NPC280347
Intermediate Similarity 0.7283 NPC318325
Intermediate Similarity 0.7283 NPC123273
Intermediate Similarity 0.7283 NPC258219
Intermediate Similarity 0.7283 NPC242240
Intermediate Similarity 0.7282 NPC4493
Intermediate Similarity 0.7282 NPC296920
Intermediate Similarity 0.7282 NPC90520
Intermediate Similarity 0.7282 NPC268032
Intermediate Similarity 0.7282 NPC476632
Intermediate Similarity 0.7282 NPC165770
Intermediate Similarity 0.7282 NPC225679
Intermediate Similarity 0.7282 NPC224527
Intermediate Similarity 0.7282 NPC255068
Intermediate Similarity 0.7234 NPC29373
Intermediate Similarity 0.7234 NPC138117
Intermediate Similarity 0.7234 NPC181709
Intermediate Similarity 0.7234 NPC325292
Intermediate Similarity 0.7212 NPC280606
Intermediate Similarity 0.7212 NPC166995
Intermediate Similarity 0.7212 NPC473521
Intermediate Similarity 0.7212 NPC43525
Intermediate Similarity 0.7204 NPC151764
Intermediate Similarity 0.7204 NPC192
Intermediate Similarity 0.7204 NPC55561
Intermediate Similarity 0.72 NPC471350
Intermediate Similarity 0.7172 NPC168393
Intermediate Similarity 0.7158 NPC128062
Intermediate Similarity 0.7158 NPC32977
Intermediate Similarity 0.7158 NPC81010
Intermediate Similarity 0.7158 NPC114325
Intermediate Similarity 0.7158 NPC151715
Intermediate Similarity 0.7143 NPC98543
Intermediate Similarity 0.7143 NPC23804
Intermediate Similarity 0.7143 NPC130103
Intermediate Similarity 0.7143 NPC223004
Intermediate Similarity 0.7143 NPC162113
Intermediate Similarity 0.7143 NPC261343
Intermediate Similarity 0.7143 NPC263753
Intermediate Similarity 0.7143 NPC319803
Intermediate Similarity 0.7143 NPC62546
Intermediate Similarity 0.7143 NPC117846
Intermediate Similarity 0.7128 NPC155908
Intermediate Similarity 0.7128 NPC204210
Intermediate Similarity 0.7128 NPC174048
Intermediate Similarity 0.7128 NPC231150
Intermediate Similarity 0.7128 NPC306074
Intermediate Similarity 0.7128 NPC322888
Intermediate Similarity 0.7128 NPC304541
Intermediate Similarity 0.7126 NPC124576
Intermediate Similarity 0.7097 NPC70436
Intermediate Similarity 0.7083 NPC246679
Intermediate Similarity 0.7083 NPC107522
Intermediate Similarity 0.7083 NPC274678
Intermediate Similarity 0.7083 NPC257182
Intermediate Similarity 0.7083 NPC26244
Intermediate Similarity 0.7083 NPC286006
Intermediate Similarity 0.7075 NPC276737
Intermediate Similarity 0.7075 NPC22610
Intermediate Similarity 0.7075 NPC107240
Intermediate Similarity 0.7075 NPC118288
Intermediate Similarity 0.7075 NPC276111
Intermediate Similarity 0.7075 NPC228287
Intermediate Similarity 0.7075 NPC180508
Intermediate Similarity 0.7053 NPC306884
Intermediate Similarity 0.7053 NPC210497
Intermediate Similarity 0.7053 NPC3358
Intermediate Similarity 0.7053 NPC147284

Drug Structure

External Identifiers

TTD   DIB010199
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  -0.093
HDA  0
HBD  3
Rotatable Bonds  3
TPSA  60.69
RO5 Violation  0