Drug Information

Drug ID:  NPD9089
Drug Name:  Resorcinol
Molecular Formula:  C6H6O2
Canonical SMILES:  Oc1cccc(c1)O
Standard InCHI:  InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
Standard InCHIKey:  GHMLBKRAJCXXBS-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9089

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 NPC270094
High Similarity 0.9868 NPC4154
High Similarity 0.9268 NPC280254
High Similarity 0.8947 NPC100980
High Similarity 0.8941 NPC288923
High Similarity 0.8734 NPC65517
High Similarity 0.8636 NPC16649
High Similarity 0.8523 NPC295295
Intermediate Similarity 0.8415 NPC204932
Intermediate Similarity 0.8352 NPC291789
Intermediate Similarity 0.8261 NPC80027
Intermediate Similarity 0.8172 NPC10588
Intermediate Similarity 0.8172 NPC275053
Intermediate Similarity 0.8172 NPC161571
Intermediate Similarity 0.8172 NPC248573
Intermediate Similarity 0.8172 NPC166761
Intermediate Similarity 0.8085 NPC72947
Intermediate Similarity 0.8085 NPC284011
Intermediate Similarity 0.8085 NPC100340
Intermediate Similarity 0.8085 NPC143659
Intermediate Similarity 0.8 NPC242342
Intermediate Similarity 0.8 NPC106396
Intermediate Similarity 0.8 NPC94351
Intermediate Similarity 0.8 NPC222522
Intermediate Similarity 0.8 NPC85479
Intermediate Similarity 0.8 NPC53051
Intermediate Similarity 0.8 NPC24404
Intermediate Similarity 0.8 NPC146798
Intermediate Similarity 0.8 NPC313030
Intermediate Similarity 0.8 NPC71002
Intermediate Similarity 0.8 NPC302219
Intermediate Similarity 0.8 NPC249828
Intermediate Similarity 0.8 NPC168303
Intermediate Similarity 0.7978 NPC302546
Intermediate Similarity 0.7975 NPC215445
Intermediate Similarity 0.7917 NPC119860
Intermediate Similarity 0.7917 NPC241891
Intermediate Similarity 0.7917 NPC102216
Intermediate Similarity 0.7917 NPC30506
Intermediate Similarity 0.7895 NPC137415
Intermediate Similarity 0.7895 NPC166313
Intermediate Similarity 0.7895 NPC11280
Intermediate Similarity 0.7895 NPC192032
Intermediate Similarity 0.7895 NPC294186
Intermediate Similarity 0.7895 NPC147310
Intermediate Similarity 0.7895 NPC24407
Intermediate Similarity 0.7889 NPC47950
Intermediate Similarity 0.7889 NPC300478
Intermediate Similarity 0.7865 NPC47422
Intermediate Similarity 0.7835 NPC474839
Intermediate Similarity 0.7835 NPC307875
Intermediate Similarity 0.7835 NPC134829
Intermediate Similarity 0.7835 NPC292452
Intermediate Similarity 0.7831 NPC322285
Intermediate Similarity 0.7816 NPC124436
Intermediate Similarity 0.7816 NPC319826
Intermediate Similarity 0.7816 NPC265146
Intermediate Similarity 0.7816 NPC33756
Intermediate Similarity 0.7816 NPC38459
Intermediate Similarity 0.7755 NPC118286
Intermediate Similarity 0.7755 NPC473653
Intermediate Similarity 0.7755 NPC248904
Intermediate Similarity 0.7755 NPC109691
Intermediate Similarity 0.7755 NPC39664
Intermediate Similarity 0.7755 NPC302681
Intermediate Similarity 0.7755 NPC39097
Intermediate Similarity 0.7755 NPC470700
Intermediate Similarity 0.7732 NPC218879
Intermediate Similarity 0.7732 NPC227458
Intermediate Similarity 0.7732 NPC244513
Intermediate Similarity 0.7727 NPC175313
Intermediate Similarity 0.7727 NPC150837
Intermediate Similarity 0.7727 NPC286904
Intermediate Similarity 0.7727 NPC248817
Intermediate Similarity 0.7677 NPC124712
Intermediate Similarity 0.7677 NPC176527
Intermediate Similarity 0.7677 NPC61033
Intermediate Similarity 0.7677 NPC158253
Intermediate Similarity 0.7677 NPC204901
Intermediate Similarity 0.7677 NPC54844
Intermediate Similarity 0.7677 NPC305603
Intermediate Similarity 0.7677 NPC232523
Intermediate Similarity 0.7667 NPC157213
Intermediate Similarity 0.7667 NPC104216
Intermediate Similarity 0.7653 NPC246056
Intermediate Similarity 0.7653 NPC37802
Intermediate Similarity 0.764 NPC155393
Intermediate Similarity 0.764 NPC197783
Intermediate Similarity 0.76 NPC58427
Intermediate Similarity 0.76 NPC114392
Intermediate Similarity 0.76 NPC105727
Intermediate Similarity 0.76 NPC61885
Intermediate Similarity 0.76 NPC174981
Intermediate Similarity 0.76 NPC34864
Intermediate Similarity 0.76 NPC63698
Intermediate Similarity 0.7576 NPC232654
Intermediate Similarity 0.7576 NPC201662
Intermediate Similarity 0.7576 NPC99836
Intermediate Similarity 0.7576 NPC164576
Intermediate Similarity 0.7576 NPC12640
Intermediate Similarity 0.7556 NPC307235
Intermediate Similarity 0.7556 NPC407
Intermediate Similarity 0.7556 NPC184169
Intermediate Similarity 0.7556 NPC23167
Intermediate Similarity 0.7553 NPC313650
Intermediate Similarity 0.7525 NPC19808
Intermediate Similarity 0.7525 NPC33728
Intermediate Similarity 0.7525 NPC202647
Intermediate Similarity 0.75 NPC312304
Intermediate Similarity 0.75 NPC277758
Intermediate Similarity 0.75 NPC300017
Intermediate Similarity 0.7473 NPC113460
Intermediate Similarity 0.7473 NPC27974
Intermediate Similarity 0.7473 NPC25493
Intermediate Similarity 0.7451 NPC94045
Intermediate Similarity 0.7451 NPC475018
Intermediate Similarity 0.7451 NPC247871
Intermediate Similarity 0.7444 NPC252149
Intermediate Similarity 0.7426 NPC187958
Intermediate Similarity 0.7419 NPC45040
Intermediate Similarity 0.7419 NPC270547
Intermediate Similarity 0.7396 NPC315921
Intermediate Similarity 0.7396 NPC88420
Intermediate Similarity 0.7391 NPC258219
Intermediate Similarity 0.7391 NPC177420
Intermediate Similarity 0.7391 NPC280347
Intermediate Similarity 0.7391 NPC123273
Intermediate Similarity 0.7391 NPC98772
Intermediate Similarity 0.7391 NPC318325
Intermediate Similarity 0.7391 NPC242240
Intermediate Similarity 0.7379 NPC224527
Intermediate Similarity 0.7379 NPC476632
Intermediate Similarity 0.7379 NPC4493
Intermediate Similarity 0.7379 NPC268032
Intermediate Similarity 0.7379 NPC90520
Intermediate Similarity 0.7379 NPC296920
Intermediate Similarity 0.7379 NPC225679
Intermediate Similarity 0.7379 NPC165770
Intermediate Similarity 0.7353 NPC299568
Intermediate Similarity 0.7353 NPC186385
Intermediate Similarity 0.734 NPC138117
Intermediate Similarity 0.734 NPC325292
Intermediate Similarity 0.734 NPC29373
Intermediate Similarity 0.734 NPC181709
Intermediate Similarity 0.7312 NPC55561
Intermediate Similarity 0.7312 NPC151764
Intermediate Similarity 0.7312 NPC192
Intermediate Similarity 0.7308 NPC166995
Intermediate Similarity 0.7308 NPC280606
Intermediate Similarity 0.7308 NPC43525
Intermediate Similarity 0.73 NPC471350
Intermediate Similarity 0.7283 NPC19680
Intermediate Similarity 0.7282 NPC242178
Intermediate Similarity 0.7282 NPC168657
Intermediate Similarity 0.7282 NPC224870
Intermediate Similarity 0.7282 NPC43411
Intermediate Similarity 0.7273 NPC168393
Intermediate Similarity 0.7263 NPC81010
Intermediate Similarity 0.7263 NPC128062
Intermediate Similarity 0.7263 NPC151715
Intermediate Similarity 0.7263 NPC114325
Intermediate Similarity 0.7263 NPC32977
Intermediate Similarity 0.7245 NPC130103
Intermediate Similarity 0.7241 NPC124576
Intermediate Similarity 0.7238 NPC117846
Intermediate Similarity 0.7238 NPC223004
Intermediate Similarity 0.7238 NPC261343
Intermediate Similarity 0.7234 NPC204210
Intermediate Similarity 0.7234 NPC306074
Intermediate Similarity 0.7234 NPC304541
Intermediate Similarity 0.7234 NPC155908
Intermediate Similarity 0.7234 NPC174048
Intermediate Similarity 0.7234 NPC231150
Intermediate Similarity 0.7234 NPC322888
Intermediate Similarity 0.7212 NPC255068
Intermediate Similarity 0.7188 NPC274678
Intermediate Similarity 0.7188 NPC107522
Intermediate Similarity 0.7188 NPC26244
Intermediate Similarity 0.7188 NPC257182
Intermediate Similarity 0.7188 NPC286006
Intermediate Similarity 0.7188 NPC246679
Intermediate Similarity 0.717 NPC276111
Intermediate Similarity 0.717 NPC22610
Intermediate Similarity 0.717 NPC107240
Intermediate Similarity 0.717 NPC276737
Intermediate Similarity 0.717 NPC228287
Intermediate Similarity 0.717 NPC118288
Intermediate Similarity 0.717 NPC180508
Intermediate Similarity 0.7158 NPC94139
Intermediate Similarity 0.7158 NPC162314
Intermediate Similarity 0.7158 NPC306884
Intermediate Similarity 0.7158 NPC3358
Intermediate Similarity 0.7158 NPC210497
Intermediate Similarity 0.7158 NPC147284
Intermediate Similarity 0.7158 NPC55903
Intermediate Similarity 0.7158 NPC271440
Intermediate Similarity 0.7143 NPC473521
Intermediate Similarity 0.7113 NPC216520
Intermediate Similarity 0.7113 NPC292730
Intermediate Similarity 0.7113 NPC132271

Drug Structure

External Identifiers

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

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