Drug Information

Drug ID:  NPD9088
Drug Name:  Hydroquinone
Molecular Formula:  C6H6O2
Canonical SMILES:  Oc1ccc(cc1)O
Standard InCHI:  InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
Standard InCHIKey:  QIGBRXMKCJKVMJ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9088

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 NPC65517
High Similarity 0.9444 NPC100980
High Similarity 0.8846 NPC204932
High Similarity 0.8734 NPC270094
High Similarity 0.8675 NPC157213
High Similarity 0.8608 NPC4154
Intermediate Similarity 0.8471 NPC288923
Intermediate Similarity 0.84 NPC215445
Intermediate Similarity 0.8276 NPC29373
Intermediate Similarity 0.8228 NPC322285
Intermediate Similarity 0.8193 NPC265146
Intermediate Similarity 0.8193 NPC124436
Intermediate Similarity 0.8193 NPC33756
Intermediate Similarity 0.8193 NPC38459
Intermediate Similarity 0.8193 NPC319826
Intermediate Similarity 0.8118 NPC280254
Intermediate Similarity 0.8095 NPC175313
Intermediate Similarity 0.8095 NPC286904
Intermediate Similarity 0.8095 NPC150837
Intermediate Similarity 0.8095 NPC248817
Intermediate Similarity 0.8046 NPC312304
Intermediate Similarity 0.8023 NPC104216
Intermediate Similarity 0.8 NPC155393
Intermediate Similarity 0.8 NPC197783
Intermediate Similarity 0.7976 NPC23837
Intermediate Similarity 0.7912 NPC475078
Intermediate Similarity 0.7912 NPC152097
Intermediate Similarity 0.7912 NPC88420
Intermediate Similarity 0.7907 NPC23167
Intermediate Similarity 0.7907 NPC407
Intermediate Similarity 0.7907 NPC184169
Intermediate Similarity 0.7907 NPC307235
Intermediate Similarity 0.7841 NPC300017
Intermediate Similarity 0.7841 NPC277758
Intermediate Similarity 0.7841 NPC47950
Intermediate Similarity 0.7841 NPC300478
Intermediate Similarity 0.7826 NPC307039
Intermediate Similarity 0.7826 NPC260775
Intermediate Similarity 0.7816 NPC113460
Intermediate Similarity 0.7816 NPC27974
Intermediate Similarity 0.7816 NPC25493
Intermediate Similarity 0.7791 NPC252149
Intermediate Similarity 0.7753 NPC45040
Intermediate Similarity 0.7753 NPC270547
Intermediate Similarity 0.7742 NPC12931
Intermediate Similarity 0.7742 NPC130103
Intermediate Similarity 0.7742 NPC130756
Intermediate Similarity 0.7742 NPC70677
Intermediate Similarity 0.7742 NPC129373
Intermediate Similarity 0.7742 NPC48730
Intermediate Similarity 0.7742 NPC248396
Intermediate Similarity 0.7727 NPC280347
Intermediate Similarity 0.7727 NPC242240
Intermediate Similarity 0.7727 NPC98772
Intermediate Similarity 0.7727 NPC318325
Intermediate Similarity 0.7727 NPC123273
Intermediate Similarity 0.7727 NPC258219
Intermediate Similarity 0.7727 NPC177420
Intermediate Similarity 0.7667 NPC325292
Intermediate Similarity 0.7667 NPC138117
Intermediate Similarity 0.7667 NPC181709
Intermediate Similarity 0.766 NPC80800
Intermediate Similarity 0.766 NPC12221
Intermediate Similarity 0.764 NPC55561
Intermediate Similarity 0.764 NPC192
Intermediate Similarity 0.764 NPC151764
Intermediate Similarity 0.7614 NPC19680
Intermediate Similarity 0.759 NPC124576
Intermediate Similarity 0.7582 NPC151715
Intermediate Similarity 0.7582 NPC81010
Intermediate Similarity 0.7582 NPC114325
Intermediate Similarity 0.7582 NPC32977
Intermediate Similarity 0.7582 NPC16649
Intermediate Similarity 0.7582 NPC128062
Intermediate Similarity 0.7579 NPC108497
Intermediate Similarity 0.7579 NPC233827
Intermediate Similarity 0.7556 NPC174048
Intermediate Similarity 0.7556 NPC322888
Intermediate Similarity 0.7556 NPC204210
Intermediate Similarity 0.7556 NPC306074
Intermediate Similarity 0.7556 NPC231150
Intermediate Similarity 0.7556 NPC155908
Intermediate Similarity 0.7556 NPC304541
Intermediate Similarity 0.7527 NPC474073
Intermediate Similarity 0.75 NPC257182
Intermediate Similarity 0.75 NPC286006
Intermediate Similarity 0.75 NPC274678
Intermediate Similarity 0.75 NPC313650
Intermediate Similarity 0.75 NPC475580
Intermediate Similarity 0.75 NPC26244
Intermediate Similarity 0.75 NPC130817
Intermediate Similarity 0.75 NPC93831
Intermediate Similarity 0.75 NPC246679
Intermediate Similarity 0.75 NPC107522
Intermediate Similarity 0.7474 NPC477685
Intermediate Similarity 0.7473 NPC210497
Intermediate Similarity 0.7473 NPC147284
Intermediate Similarity 0.7473 NPC55903
Intermediate Similarity 0.7473 NPC94139
Intermediate Similarity 0.7473 NPC271440
Intermediate Similarity 0.7473 NPC295295
Intermediate Similarity 0.7473 NPC3358
Intermediate Similarity 0.7473 NPC306884
Intermediate Similarity 0.7473 NPC162314
Intermediate Similarity 0.7423 NPC47284
Intermediate Similarity 0.7419 NPC283711
Intermediate Similarity 0.7419 NPC473388
Intermediate Similarity 0.7419 NPC82664
Intermediate Similarity 0.7419 NPC216520
Intermediate Similarity 0.7419 NPC292730
Intermediate Similarity 0.7419 NPC132271
Intermediate Similarity 0.7396 NPC269212
Intermediate Similarity 0.7391 NPC27323
Intermediate Similarity 0.7391 NPC316301
Intermediate Similarity 0.7391 NPC152415
Intermediate Similarity 0.7391 NPC76938
Intermediate Similarity 0.7391 NPC245187
Intermediate Similarity 0.7368 NPC174911
Intermediate Similarity 0.7347 NPC53740
Intermediate Similarity 0.7347 NPC67250
Intermediate Similarity 0.7347 NPC155072
Intermediate Similarity 0.7347 NPC54765
Intermediate Similarity 0.734 NPC201967
Intermediate Similarity 0.734 NPC107619
Intermediate Similarity 0.734 NPC291789
Intermediate Similarity 0.734 NPC260000
Intermediate Similarity 0.734 NPC109955
Intermediate Similarity 0.734 NPC315921
Intermediate Similarity 0.7333 NPC70436
Intermediate Similarity 0.732 NPC272029
Intermediate Similarity 0.7312 NPC32714
Intermediate Similarity 0.7312 NPC8392
Intermediate Similarity 0.7273 NPC124712
Intermediate Similarity 0.7273 NPC233320
Intermediate Similarity 0.7273 NPC474352
Intermediate Similarity 0.7273 NPC320439
Intermediate Similarity 0.7263 NPC92730
Intermediate Similarity 0.7263 NPC132078
Intermediate Similarity 0.7263 NPC245561
Intermediate Similarity 0.7263 NPC314803
Intermediate Similarity 0.7263 NPC130193
Intermediate Similarity 0.7263 NPC280869
Intermediate Similarity 0.7263 NPC275104
Intermediate Similarity 0.7263 NPC78119
Intermediate Similarity 0.7263 NPC128723
Intermediate Similarity 0.7263 NPC80027
Intermediate Similarity 0.7263 NPC216468
Intermediate Similarity 0.7263 NPC51333
Intermediate Similarity 0.7263 NPC171843
Intermediate Similarity 0.7263 NPC131587
Intermediate Similarity 0.7253 NPC318429
Intermediate Similarity 0.7234 NPC259512
Intermediate Similarity 0.7234 NPC312132
Intermediate Similarity 0.7234 NPC202986
Intermediate Similarity 0.7216 NPC13426
Intermediate Similarity 0.7216 NPC235762
Intermediate Similarity 0.7216 NPC471228
Intermediate Similarity 0.7204 NPC289769
Intermediate Similarity 0.72 NPC169450
Intermediate Similarity 0.72 NPC95344
Intermediate Similarity 0.7188 NPC161571
Intermediate Similarity 0.7188 NPC248573
Intermediate Similarity 0.7188 NPC253746
Intermediate Similarity 0.7188 NPC52472
Intermediate Similarity 0.7188 NPC294741
Intermediate Similarity 0.7188 NPC275053
Intermediate Similarity 0.7188 NPC72729
Intermediate Similarity 0.7188 NPC10588
Intermediate Similarity 0.7188 NPC223393
Intermediate Similarity 0.7188 NPC166761
Intermediate Similarity 0.7188 NPC213730
Intermediate Similarity 0.7172 NPC469913
Intermediate Similarity 0.7172 NPC232654
Intermediate Similarity 0.7159 NPC125306
Intermediate Similarity 0.7158 NPC156313
Intermediate Similarity 0.7158 NPC6597
Intermediate Similarity 0.7158 NPC225464
Intermediate Similarity 0.7158 NPC79241
Intermediate Similarity 0.7158 NPC77492
Intermediate Similarity 0.7158 NPC32674
Intermediate Similarity 0.7143 NPC288411
Intermediate Similarity 0.7143 NPC323810
Intermediate Similarity 0.7143 NPC475225
Intermediate Similarity 0.7129 NPC316052
Intermediate Similarity 0.7129 NPC473524
Intermediate Similarity 0.7129 NPC98392
Intermediate Similarity 0.7128 NPC222146
Intermediate Similarity 0.7113 NPC101025
Intermediate Similarity 0.7113 NPC472585
Intermediate Similarity 0.7113 NPC284011
Intermediate Similarity 0.7113 NPC100340
Intermediate Similarity 0.7113 NPC471578
Intermediate Similarity 0.7113 NPC72947
Intermediate Similarity 0.7113 NPC7686
Intermediate Similarity 0.7113 NPC143659
Intermediate Similarity 0.7113 NPC91461
Intermediate Similarity 0.7113 NPC94343
Intermediate Similarity 0.7113 NPC40258
Intermediate Similarity 0.7113 NPC110764
Intermediate Similarity 0.7111 NPC206876

Drug Structure

External Identifiers

TTD   DNC000750
DrugBank   DB09526
ChEMBL   CHEMBL537
IUPHAR/BPS  
PharmaGKB   PA449924
KEGG Drug   D00073
PubChem CID   785
ChEBI   17594
CAS Number  123-31-9

Drug Properties

Molecular Weight  110.04
ALogP  -0.9206
MLogP  1.9
XLogP  0.87
HDA  0
HBD  2
Rotatable Bonds  2
TPSA  40.46
RO5 Violation  0