Drug Information

Drug ID:  NPD9365
Drug Name:  2-Phenoxyethanol
Molecular Formula:  C8H10O2
Canonical SMILES:  OCCOc1ccccc1
Standard InCHI:  InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
Standard InCHIKey:  QCDWFXQBSFUVSP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9365

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 NPC318429
High Similarity 0.9032 NPC132725
High Similarity 0.9032 NPC314803
High Similarity 0.8636 NPC125306
High Similarity 0.8586 NPC194034
High Similarity 0.8571 NPC17537
High Similarity 0.8556 NPC206876
Intermediate Similarity 0.8488 NPC124576
Intermediate Similarity 0.8454 NPC51633
Intermediate Similarity 0.8427 NPC23837
Intermediate Similarity 0.8404 NPC114325
Intermediate Similarity 0.8367 NPC192596
Intermediate Similarity 0.8333 NPC46844
Intermediate Similarity 0.83 NPC41594
Intermediate Similarity 0.8283 NPC108875
Intermediate Similarity 0.8283 NPC38079
Intermediate Similarity 0.8261 NPC157213
Intermediate Similarity 0.82 NPC8302
Intermediate Similarity 0.82 NPC470393
Intermediate Similarity 0.8173 NPC115379
Intermediate Similarity 0.8095 NPC301735
Intermediate Similarity 0.8077 NPC55300
Intermediate Similarity 0.8061 NPC307039
Intermediate Similarity 0.8061 NPC100870
Intermediate Similarity 0.8019 NPC142319
Intermediate Similarity 0.8 NPC165646
Intermediate Similarity 0.7979 NPC302546
Intermediate Similarity 0.7959 NPC313918
Intermediate Similarity 0.7959 NPC95755
Intermediate Similarity 0.7941 NPC473653
Intermediate Similarity 0.7879 NPC471576
Intermediate Similarity 0.7872 NPC47422
Intermediate Similarity 0.787 NPC154256
Intermediate Similarity 0.787 NPC290470
Intermediate Similarity 0.7864 NPC258171
Intermediate Similarity 0.7864 NPC251306
Intermediate Similarity 0.7864 NPC227894
Intermediate Similarity 0.7843 NPC307875
Intermediate Similarity 0.7835 NPC16649
Intermediate Similarity 0.7822 NPC305205
Intermediate Similarity 0.7798 NPC9248
Intermediate Similarity 0.7789 NPC177844
Intermediate Similarity 0.7789 NPC259134
Intermediate Similarity 0.7789 NPC99886
Intermediate Similarity 0.7789 NPC8002
Intermediate Similarity 0.7745 NPC283546
Intermediate Similarity 0.7736 NPC78918
Intermediate Similarity 0.7736 NPC139617
Intermediate Similarity 0.7727 NPC101503
Intermediate Similarity 0.7727 NPC228907
Intermediate Similarity 0.7708 NPC71853
Intermediate Similarity 0.767 NPC128730
Intermediate Similarity 0.767 NPC473855
Intermediate Similarity 0.7658 NPC163036
Intermediate Similarity 0.7642 NPC137685
Intermediate Similarity 0.7629 NPC321956
Intermediate Similarity 0.7624 NPC107101
Intermediate Similarity 0.7596 NPC176971
Intermediate Similarity 0.7589 NPC469708
Intermediate Similarity 0.7589 NPC60589
Intermediate Similarity 0.757 NPC266932
Intermediate Similarity 0.7549 NPC310905
Intermediate Similarity 0.7549 NPC12714
Intermediate Similarity 0.7549 NPC307425
Intermediate Similarity 0.7547 NPC7097
Intermediate Similarity 0.7547 NPC36108
Intermediate Similarity 0.7547 NPC233731
Intermediate Similarity 0.7547 NPC246358
Intermediate Similarity 0.7524 NPC151530
Intermediate Similarity 0.7524 NPC124712
Intermediate Similarity 0.7524 NPC157473
Intermediate Similarity 0.7523 NPC161696
Intermediate Similarity 0.7523 NPC235250
Intermediate Similarity 0.7522 NPC198734
Intermediate Similarity 0.7522 NPC269242
Intermediate Similarity 0.7522 NPC469412
Intermediate Similarity 0.7522 NPC473875
Intermediate Similarity 0.75 NPC266116
Intermediate Similarity 0.7476 NPC179686
Intermediate Similarity 0.7475 NPC471581
Intermediate Similarity 0.7456 NPC290451
Intermediate Similarity 0.7456 NPC127389
Intermediate Similarity 0.7456 NPC57751
Intermediate Similarity 0.7456 NPC226712
Intermediate Similarity 0.7455 NPC301321
Intermediate Similarity 0.7453 NPC291837
Intermediate Similarity 0.7453 NPC241549
Intermediate Similarity 0.7451 NPC13755
Intermediate Similarity 0.7429 NPC232654
Intermediate Similarity 0.7429 NPC326801
Intermediate Similarity 0.7426 NPC175298
Intermediate Similarity 0.7411 NPC329980
Intermediate Similarity 0.7411 NPC204617
Intermediate Similarity 0.7407 NPC173746
Intermediate Similarity 0.7407 NPC195873
Intermediate Similarity 0.7407 NPC257124
Intermediate Similarity 0.7407 NPC8547
Intermediate Similarity 0.7407 NPC245552
Intermediate Similarity 0.7407 NPC156840
Intermediate Similarity 0.7404 NPC12987
Intermediate Similarity 0.7404 NPC292792
Intermediate Similarity 0.7404 NPC2518
Intermediate Similarity 0.7404 NPC474603
Intermediate Similarity 0.7391 NPC204932
Intermediate Similarity 0.7391 NPC71090
Intermediate Similarity 0.7387 NPC221049
Intermediate Similarity 0.7386 NPC100980
Intermediate Similarity 0.7383 NPC149545
Intermediate Similarity 0.7383 NPC474272
Intermediate Similarity 0.7379 NPC84325
Intermediate Similarity 0.7368 NPC276195
Intermediate Similarity 0.7368 NPC199023
Intermediate Similarity 0.7368 NPC475529
Intermediate Similarity 0.7345 NPC37858
Intermediate Similarity 0.7333 NPC227255
Intermediate Similarity 0.7333 NPC238115
Intermediate Similarity 0.7333 NPC473393
Intermediate Similarity 0.7333 NPC288760
Intermediate Similarity 0.7321 NPC142042
Intermediate Similarity 0.7321 NPC86947
Intermediate Similarity 0.7321 NPC164386
Intermediate Similarity 0.732 NPC104216
Intermediate Similarity 0.7315 NPC95977
Intermediate Similarity 0.7315 NPC25067
Intermediate Similarity 0.7315 NPC88868
Intermediate Similarity 0.7315 NPC231251
Intermediate Similarity 0.729 NPC146530
Intermediate Similarity 0.7273 NPC303522
Intermediate Similarity 0.7265 NPC221090
Intermediate Similarity 0.7265 NPC293701
Intermediate Similarity 0.7265 NPC25817
Intermediate Similarity 0.7265 NPC109822
Intermediate Similarity 0.7265 NPC287429
Intermediate Similarity 0.7265 NPC114901
Intermediate Similarity 0.7265 NPC48990
Intermediate Similarity 0.7265 NPC94276
Intermediate Similarity 0.7264 NPC326447
Intermediate Similarity 0.7264 NPC113457
Intermediate Similarity 0.7257 NPC124916
Intermediate Similarity 0.7257 NPC283616
Intermediate Similarity 0.7257 NPC255675
Intermediate Similarity 0.7255 NPC470161
Intermediate Similarity 0.7253 NPC65517
Intermediate Similarity 0.7241 NPC152722
Intermediate Similarity 0.7238 NPC109637
Intermediate Similarity 0.7212 NPC300166
Intermediate Similarity 0.7203 NPC278552
Intermediate Similarity 0.7203 NPC207179
Intermediate Similarity 0.7203 NPC470510
Intermediate Similarity 0.7203 NPC194519
Intermediate Similarity 0.7203 NPC141739
Intermediate Similarity 0.7203 NPC136112
Intermediate Similarity 0.7203 NPC320242
Intermediate Similarity 0.7203 NPC167571
Intermediate Similarity 0.7196 NPC233320
Intermediate Similarity 0.7193 NPC311595
Intermediate Similarity 0.7193 NPC135961
Intermediate Similarity 0.7193 NPC181969
Intermediate Similarity 0.7193 NPC24474
Intermediate Similarity 0.7193 NPC320987
Intermediate Similarity 0.7184 NPC171843
Intermediate Similarity 0.7182 NPC474920
Intermediate Similarity 0.7179 NPC217854
Intermediate Similarity 0.7179 NPC192810
Intermediate Similarity 0.7179 NPC474130
Intermediate Similarity 0.7172 NPC300017
Intermediate Similarity 0.717 NPC475269
Intermediate Similarity 0.717 NPC139891
Intermediate Similarity 0.7168 NPC39793
Intermediate Similarity 0.7168 NPC151617
Intermediate Similarity 0.7168 NPC76915
Intermediate Similarity 0.7168 NPC161768
Intermediate Similarity 0.7159 NPC215445
Intermediate Similarity 0.7156 NPC106141
Intermediate Similarity 0.7156 NPC179309
Intermediate Similarity 0.7156 NPC141068
Intermediate Similarity 0.7155 NPC470804
Intermediate Similarity 0.7143 NPC58607
Intermediate Similarity 0.7143 NPC178284
Intermediate Similarity 0.7143 NPC319933
Intermediate Similarity 0.7143 NPC298845
Intermediate Similarity 0.7143 NPC298224
Intermediate Similarity 0.7143 NPC233559
Intermediate Similarity 0.7143 NPC191037
Intermediate Similarity 0.7143 NPC162294
Intermediate Similarity 0.713 NPC75440
Intermediate Similarity 0.713 NPC148615
Intermediate Similarity 0.713 NPC193193
Intermediate Similarity 0.713 NPC229401
Intermediate Similarity 0.713 NPC202474
Intermediate Similarity 0.713 NPC177475
Intermediate Similarity 0.713 NPC35071
Intermediate Similarity 0.713 NPC201959
Intermediate Similarity 0.7119 NPC74478
Intermediate Similarity 0.7117 NPC90903
Intermediate Similarity 0.7105 NPC212743
Intermediate Similarity 0.7105 NPC74821
Intermediate Similarity 0.7105 NPC474040
Intermediate Similarity 0.7105 NPC191194
Intermediate Similarity 0.7105 NPC159916

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  138.07
ALogP  -0.5912
MLogP  2.12
XLogP  1.854
HDA  1
HBD  1
Rotatable Bonds  4
TPSA  29.46
RO5 Violation  0