Drug Information

Drug ID:  NPD9296
Drug Name:  Guaiacol
Molecular Formula:  C7H8O2
Canonical SMILES:  COc1ccccc1O
Standard InCHI:  InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
Standard InCHIKey:  LHGVFZTZFXWLCP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD9296

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 NPC114325
High Similarity 0.9355 NPC314803
High Similarity 0.9101 NPC206876
High Similarity 0.9072 NPC307875
High Similarity 0.8889 NPC124712
High Similarity 0.8791 NPC157213
High Similarity 0.8713 NPC233731
High Similarity 0.8713 NPC246358
High Similarity 0.8713 NPC36108
High Similarity 0.8713 NPC7097
High Similarity 0.8544 NPC195873
High Similarity 0.8544 NPC156840
High Similarity 0.8544 NPC139617
High Similarity 0.8544 NPC257124
High Similarity 0.8544 NPC8547
High Similarity 0.8544 NPC173746
High Similarity 0.8544 NPC78918
High Similarity 0.8523 NPC204932
Intermediate Similarity 0.8416 NPC232654
Intermediate Similarity 0.8409 NPC124576
Intermediate Similarity 0.8404 NPC318429
Intermediate Similarity 0.8333 NPC16649
Intermediate Similarity 0.8155 NPC227894
Intermediate Similarity 0.8152 NPC23837
Intermediate Similarity 0.8148 NPC221049
Intermediate Similarity 0.8073 NPC293619
Intermediate Similarity 0.8073 NPC39793
Intermediate Similarity 0.8073 NPC164386
Intermediate Similarity 0.8073 NPC259638
Intermediate Similarity 0.8058 NPC41594
Intermediate Similarity 0.802 NPC310905
Intermediate Similarity 0.802 NPC12714
Intermediate Similarity 0.8 NPC212743
Intermediate Similarity 0.8 NPC470626
Intermediate Similarity 0.8 NPC137537
Intermediate Similarity 0.8 NPC255675
Intermediate Similarity 0.8 NPC107588
Intermediate Similarity 0.8 NPC70744
Intermediate Similarity 0.8 NPC272471
Intermediate Similarity 0.8 NPC164706
Intermediate Similarity 0.7982 NPC193067
Intermediate Similarity 0.7928 NPC299406
Intermediate Similarity 0.7928 NPC24474
Intermediate Similarity 0.7928 NPC311595
Intermediate Similarity 0.7928 NPC320987
Intermediate Similarity 0.7928 NPC310338
Intermediate Similarity 0.7928 NPC20674
Intermediate Similarity 0.7928 NPC181969
Intermediate Similarity 0.7928 NPC281298
Intermediate Similarity 0.7925 NPC247871
Intermediate Similarity 0.7925 NPC137685
Intermediate Similarity 0.7909 NPC9248
Intermediate Similarity 0.7895 NPC280254
Intermediate Similarity 0.7864 NPC292792
Intermediate Similarity 0.7857 NPC148615
Intermediate Similarity 0.7857 NPC95614
Intermediate Similarity 0.7857 NPC165133
Intermediate Similarity 0.7857 NPC35071
Intermediate Similarity 0.7857 NPC229401
Intermediate Similarity 0.7857 NPC117780
Intermediate Similarity 0.7857 NPC232316
Intermediate Similarity 0.7857 NPC202474
Intermediate Similarity 0.7857 NPC242885
Intermediate Similarity 0.7857 NPC10932
Intermediate Similarity 0.7857 NPC232084
Intermediate Similarity 0.7857 NPC247364
Intermediate Similarity 0.7857 NPC2058
Intermediate Similarity 0.7857 NPC56214
Intermediate Similarity 0.7857 NPC177475
Intermediate Similarity 0.7857 NPC61516
Intermediate Similarity 0.7857 NPC227217
Intermediate Similarity 0.785 NPC55300
Intermediate Similarity 0.7822 NPC132725
Intermediate Similarity 0.7822 NPC307039
Intermediate Similarity 0.7788 NPC269843
Intermediate Similarity 0.7788 NPC60962
Intermediate Similarity 0.7788 NPC158949
Intermediate Similarity 0.7788 NPC207613
Intermediate Similarity 0.7788 NPC14007
Intermediate Similarity 0.7788 NPC224814
Intermediate Similarity 0.7788 NPC189844
Intermediate Similarity 0.7788 NPC204466
Intermediate Similarity 0.7788 NPC109083
Intermediate Similarity 0.7778 NPC165646
Intermediate Similarity 0.7748 NPC86947
Intermediate Similarity 0.7732 NPC302546
Intermediate Similarity 0.7727 NPC100980
Intermediate Similarity 0.7719 NPC312675
Intermediate Similarity 0.7719 NPC54872
Intermediate Similarity 0.7719 NPC473853
Intermediate Similarity 0.7719 NPC184651
Intermediate Similarity 0.7719 NPC343720
Intermediate Similarity 0.7719 NPC38996
Intermediate Similarity 0.7719 NPC194416
Intermediate Similarity 0.7719 NPC177291
Intermediate Similarity 0.7719 NPC262156
Intermediate Similarity 0.7719 NPC201777
Intermediate Similarity 0.7719 NPC470804
Intermediate Similarity 0.7719 NPC70752
Intermediate Similarity 0.7719 NPC324571
Intermediate Similarity 0.7719 NPC113865
Intermediate Similarity 0.7719 NPC470212
Intermediate Similarity 0.7719 NPC476343
Intermediate Similarity 0.7719 NPC160380
Intermediate Similarity 0.77 NPC107522
Intermediate Similarity 0.7692 NPC12987
Intermediate Similarity 0.7692 NPC474603
Intermediate Similarity 0.7653 NPC288923
Intermediate Similarity 0.7652 NPC473411
Intermediate Similarity 0.7652 NPC286573
Intermediate Similarity 0.7652 NPC262253
Intermediate Similarity 0.7652 NPC41562
Intermediate Similarity 0.7652 NPC114298
Intermediate Similarity 0.7652 NPC85488
Intermediate Similarity 0.7652 NPC71579
Intermediate Similarity 0.7652 NPC209567
Intermediate Similarity 0.7647 NPC100870
Intermediate Similarity 0.7642 NPC194034
Intermediate Similarity 0.7642 NPC258171
Intermediate Similarity 0.7642 NPC251306
Intermediate Similarity 0.7636 NPC294941
Intermediate Similarity 0.7632 NPC170824
Intermediate Similarity 0.7629 NPC47422
Intermediate Similarity 0.7619 NPC17537
Intermediate Similarity 0.7611 NPC226629
Intermediate Similarity 0.7611 NPC135961
Intermediate Similarity 0.7596 NPC305205
Intermediate Similarity 0.7593 NPC46844
Intermediate Similarity 0.7589 NPC76915
Intermediate Similarity 0.7589 NPC151617
Intermediate Similarity 0.7586 NPC197757
Intermediate Similarity 0.7586 NPC163083
Intermediate Similarity 0.7586 NPC228922
Intermediate Similarity 0.7586 NPC471693
Intermediate Similarity 0.7586 NPC4181
Intermediate Similarity 0.7586 NPC229084
Intermediate Similarity 0.7586 NPC238810
Intermediate Similarity 0.7586 NPC13020
Intermediate Similarity 0.7586 NPC257976
Intermediate Similarity 0.7586 NPC18984
Intermediate Similarity 0.7586 NPC95168
Intermediate Similarity 0.7586 NPC106659
Intermediate Similarity 0.7586 NPC160900
Intermediate Similarity 0.7586 NPC164778
Intermediate Similarity 0.7586 NPC121115
Intermediate Similarity 0.7586 NPC280704
Intermediate Similarity 0.7586 NPC31344
Intermediate Similarity 0.7586 NPC317769
Intermediate Similarity 0.7586 NPC140359
Intermediate Similarity 0.7586 NPC242372
Intermediate Similarity 0.7582 NPC65517
Intermediate Similarity 0.7579 NPC125306
Intermediate Similarity 0.7565 NPC127389
Intermediate Similarity 0.7565 NPC290451
Intermediate Similarity 0.7565 NPC49341
Intermediate Similarity 0.7551 NPC259134
Intermediate Similarity 0.7551 NPC99886
Intermediate Similarity 0.7551 NPC8002
Intermediate Similarity 0.7551 NPC177844
Intermediate Similarity 0.7547 NPC473653
Intermediate Similarity 0.7547 NPC113457
Intermediate Similarity 0.7544 NPC474565
Intermediate Similarity 0.7522 NPC191194
Intermediate Similarity 0.7521 NPC5796
Intermediate Similarity 0.7521 NPC74478
Intermediate Similarity 0.7521 NPC273686
Intermediate Similarity 0.7521 NPC206487
Intermediate Similarity 0.7521 NPC221090
Intermediate Similarity 0.7521 NPC183446
Intermediate Similarity 0.7521 NPC246704
Intermediate Similarity 0.7521 NPC20443
Intermediate Similarity 0.7521 NPC60517
Intermediate Similarity 0.7521 NPC312404
Intermediate Similarity 0.7521 NPC146886
Intermediate Similarity 0.75 NPC51633
Intermediate Similarity 0.75 NPC127326
Intermediate Similarity 0.75 NPC135414
Intermediate Similarity 0.75 NPC246967
Intermediate Similarity 0.7478 NPC166759
Intermediate Similarity 0.7477 NPC233320
Intermediate Similarity 0.7476 NPC131587
Intermediate Similarity 0.7475 NPC71853
Intermediate Similarity 0.7458 NPC251855
Intermediate Similarity 0.7458 NPC298757
Intermediate Similarity 0.7458 NPC9067
Intermediate Similarity 0.7458 NPC271985
Intermediate Similarity 0.7458 NPC234400
Intermediate Similarity 0.7458 NPC57490
Intermediate Similarity 0.7458 NPC17943
Intermediate Similarity 0.7458 NPC299584
Intermediate Similarity 0.7458 NPC472093
Intermediate Similarity 0.7458 NPC117214
Intermediate Similarity 0.7458 NPC475169
Intermediate Similarity 0.7458 NPC289459
Intermediate Similarity 0.7458 NPC203133
Intermediate Similarity 0.7458 NPC221077
Intermediate Similarity 0.7458 NPC300326
Intermediate Similarity 0.7458 NPC194519
Intermediate Similarity 0.7458 NPC265483
Intermediate Similarity 0.7458 NPC29008

Drug Structure

External Identifiers

TTD   DNC009129
DrugBank   DB11359
ChEMBL   CHEMBL13766
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D00117
PubChem CID   460
ChEBI   28591
CAS Number  90-05-1

Drug Properties

Molecular Weight  124.05
ALogP  -0.5121
MLogP  2.01
XLogP  1.389
HDA  0
HBD  1
Rotatable Bonds  3
TPSA  29.46
RO5 Violation  0