Drug Information

Drug ID:  NPD228
Drug Name:  Eugenol
Molecular Formula:  C10H12O2
Canonical SMILES:  C=CCc1ccc(c(c1)OC)O
Standard InCHI:  InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
Standard InCHIKey:  RRAFCDWBNXTKKO-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD228

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 NPC8547
High Similarity 1.0 NPC173746
High Similarity 1.0 NPC257124
High Similarity 1.0 NPC156840
High Similarity 0.9806 NPC246358
High Similarity 0.9806 NPC36108
High Similarity 0.9806 NPC7097
High Similarity 0.9806 NPC233731
High Similarity 0.9619 NPC195873
High Similarity 0.9619 NPC78918
High Similarity 0.9619 NPC139617
High Similarity 0.9537 NPC221049
High Similarity 0.945 NPC293619
High Similarity 0.945 NPC164386
High Similarity 0.9364 NPC255675
High Similarity 0.9364 NPC470626
High Similarity 0.934 NPC137685
High Similarity 0.932 NPC292792
High Similarity 0.9279 NPC320987
High Similarity 0.9279 NPC20674
High Similarity 0.9279 NPC24474
High Similarity 0.9279 NPC310338
High Similarity 0.9279 NPC281298
High Similarity 0.9279 NPC311595
High Similarity 0.9279 NPC299406
High Similarity 0.9279 NPC181969
High Similarity 0.9238 NPC227894
High Similarity 0.9196 NPC117780
High Similarity 0.9196 NPC95614
High Similarity 0.9196 NPC177475
High Similarity 0.9196 NPC35071
High Similarity 0.9196 NPC165133
High Similarity 0.9196 NPC148615
High Similarity 0.9196 NPC56214
High Similarity 0.9196 NPC227217
High Similarity 0.9196 NPC232316
High Similarity 0.9196 NPC242885
High Similarity 0.9126 NPC310905
High Similarity 0.9126 NPC12714
High Similarity 0.9115 NPC207613
High Similarity 0.9099 NPC259638
High Similarity 0.9099 NPC86947
High Similarity 0.9099 NPC39793
High Similarity 0.9035 NPC54872
High Similarity 0.9035 NPC194416
High Similarity 0.9035 NPC324571
High Similarity 0.9035 NPC177291
High Similarity 0.9035 NPC476343
High Similarity 0.9035 NPC473853
High Similarity 0.9035 NPC262156
High Similarity 0.9035 NPC160380
High Similarity 0.9035 NPC201777
High Similarity 0.9035 NPC470212
High Similarity 0.9035 NPC38996
High Similarity 0.9035 NPC343720
High Similarity 0.9035 NPC113865
High Similarity 0.9035 NPC312675
High Similarity 0.9035 NPC184651
High Similarity 0.9035 NPC470804
High Similarity 0.9018 NPC70744
High Similarity 0.9018 NPC137537
High Similarity 0.9018 NPC272471
High Similarity 0.9018 NPC164706
High Similarity 0.9018 NPC107588
High Similarity 0.9009 NPC193067
High Similarity 0.8957 NPC114298
High Similarity 0.8957 NPC209567
High Similarity 0.8957 NPC41562
High Similarity 0.8957 NPC85488
High Similarity 0.8938 NPC135961
High Similarity 0.8899 NPC55300
High Similarity 0.8879 NPC257976
High Similarity 0.8879 NPC242372
High Similarity 0.8879 NPC140359
High Similarity 0.8879 NPC164778
High Similarity 0.8879 NPC228922
High Similarity 0.8879 NPC4181
High Similarity 0.8879 NPC13020
High Similarity 0.8879 NPC31344
High Similarity 0.8879 NPC317769
High Similarity 0.8879 NPC280704
High Similarity 0.8879 NPC471693
High Similarity 0.8879 NPC197757
High Similarity 0.8879 NPC163083
High Similarity 0.887 NPC290451
High Similarity 0.887 NPC49341
High Similarity 0.887 NPC127389
High Similarity 0.886 NPC232084
High Similarity 0.886 NPC229401
High Similarity 0.886 NPC202474
High Similarity 0.886 NPC10932
High Similarity 0.886 NPC247364
High Similarity 0.886 NPC2058
High Similarity 0.886 NPC61516
High Similarity 0.885 NPC212743
High Similarity 0.8835 NPC109955
High Similarity 0.8818 NPC165646
High Similarity 0.8803 NPC5796
High Similarity 0.8803 NPC206487
High Similarity 0.8803 NPC20443
High Similarity 0.8803 NPC273686
High Similarity 0.8803 NPC146886
High Similarity 0.8803 NPC60517
High Similarity 0.8803 NPC312404
High Similarity 0.8796 NPC75440
High Similarity 0.8783 NPC204466
High Similarity 0.8783 NPC224814
High Similarity 0.8783 NPC189844
High Similarity 0.8783 NPC269843
High Similarity 0.8783 NPC14007
High Similarity 0.8783 NPC109083
High Similarity 0.8783 NPC60962
High Similarity 0.8783 NPC158949
High Similarity 0.8774 NPC12987
High Similarity 0.8774 NPC474603
High Similarity 0.8762 NPC110764
High Similarity 0.8729 NPC17943
High Similarity 0.8729 NPC251855
High Similarity 0.8729 NPC203133
High Similarity 0.8729 NPC257589
High Similarity 0.8729 NPC266705
High Similarity 0.8729 NPC234400
High Similarity 0.8729 NPC280767
High Similarity 0.8729 NPC116907
High Similarity 0.8729 NPC298757
High Similarity 0.8729 NPC9067
High Similarity 0.8729 NPC228771
High Similarity 0.8729 NPC53305
High Similarity 0.8729 NPC148627
High Similarity 0.8729 NPC60885
High Similarity 0.8729 NPC57490
High Similarity 0.8729 NPC117214
High Similarity 0.8729 NPC208950
High Similarity 0.8729 NPC233410
High Similarity 0.8729 NPC194519
High Similarity 0.8729 NPC193544
High Similarity 0.8729 NPC475169
High Similarity 0.8729 NPC472093
High Similarity 0.8729 NPC221077
High Similarity 0.8729 NPC29008
High Similarity 0.8718 NPC165375
High Similarity 0.8718 NPC220598
High Similarity 0.8707 NPC70752
High Similarity 0.8707 NPC285289
High Similarity 0.8704 NPC258171
High Similarity 0.8684 NPC474214
High Similarity 0.8684 NPC205502
High Similarity 0.8684 NPC474040
High Similarity 0.8679 NPC196479
High Similarity 0.8661 NPC294941
High Similarity 0.8655 NPC191037
High Similarity 0.8655 NPC178284
High Similarity 0.8655 NPC58607
High Similarity 0.8655 NPC78974
High Similarity 0.8655 NPC223136
High Similarity 0.8655 NPC44748
High Similarity 0.8655 NPC18924
High Similarity 0.8655 NPC304630
High Similarity 0.8655 NPC213552
High Similarity 0.8655 NPC274356
High Similarity 0.8655 NPC84076
High Similarity 0.8655 NPC28730
High Similarity 0.8655 NPC103823
High Similarity 0.8655 NPC179777
High Similarity 0.8655 NPC303680
High Similarity 0.8655 NPC127937
High Similarity 0.8655 NPC90128
High Similarity 0.8655 NPC17837
High Similarity 0.8655 NPC92207
High Similarity 0.8655 NPC120225
High Similarity 0.8655 NPC214406
High Similarity 0.8644 NPC48990
High Similarity 0.8644 NPC114901
High Similarity 0.8644 NPC293701
High Similarity 0.8644 NPC183446
High Similarity 0.8641 NPC107522
High Similarity 0.8636 NPC31279
High Similarity 0.8632 NPC286573
High Similarity 0.8632 NPC30462
High Similarity 0.8632 NPC262253
High Similarity 0.8632 NPC473411
High Similarity 0.8632 NPC71579
High Similarity 0.8609 NPC474320
High Similarity 0.8609 NPC226629
High Similarity 0.8598 NPC120719
High Similarity 0.8598 NPC12278
High Similarity 0.8583 NPC127587
High Similarity 0.8583 NPC165045
High Similarity 0.8583 NPC32163
High Similarity 0.8583 NPC183181
High Similarity 0.8583 NPC118787
High Similarity 0.8583 NPC319625
High Similarity 0.8583 NPC210355
High Similarity 0.8583 NPC151167
High Similarity 0.8583 NPC123228
High Similarity 0.8583 NPC5428
High Similarity 0.8583 NPC20404
High Similarity 0.8583 NPC118533
High Similarity 0.8583 NPC106511
High Similarity 0.8583 NPC169474

Drug Structure

External Identifiers

TTD  
DrugBank   DB09086
ChEMBL   CHEMBL42710
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   4917
CAS Number  97-53-0

Drug Properties

Molecular Weight  164.08
ALogP  0.5166
MLogP  2.34
XLogP  2.484
HDA  0
HBD  1
Rotatable Bonds  5
TPSA  29.46
RO5 Violation  0