Drug Information

Drug ID:  NPD9493
Drug Name:  Methyl Salicylate
Molecular Formula:  C8H8O3
Canonical SMILES:  COC(=O)c1ccccc1O
Standard InCHI:  InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
Standard InCHIKey:  OSWPMRLSEDHDFF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9493

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 NPC128825
High Similarity 0.9818 NPC94637
High Similarity 0.973 NPC328459
High Similarity 0.973 NPC90522
High Similarity 0.9643 NPC72977
High Similarity 0.9469 NPC233282
High Similarity 0.9259 NPC100551
High Similarity 0.9196 NPC188907
High Similarity 0.9189 NPC211421
High Similarity 0.9153 NPC4164
High Similarity 0.9076 NPC95309
High Similarity 0.906 NPC311219
High Similarity 0.9035 NPC217423
High Similarity 0.9 NPC71525
High Similarity 0.8938 NPC81808
High Similarity 0.8909 NPC224584
High Similarity 0.8908 NPC265910
High Similarity 0.8908 NPC91475
High Similarity 0.8908 NPC6888
High Similarity 0.887 NPC125252
High Similarity 0.8803 NPC230951
High Similarity 0.8783 NPC131192
High Similarity 0.878 NPC42292
High Similarity 0.878 NPC307732
High Similarity 0.8689 NPC181715
High Similarity 0.8684 NPC223004
High Similarity 0.8649 NPC303264
High Similarity 0.8632 NPC27633
High Similarity 0.8632 NPC94298
High Similarity 0.8629 NPC12694
High Similarity 0.8621 NPC312800
High Similarity 0.8618 NPC293453
High Similarity 0.8609 NPC276111
High Similarity 0.8609 NPC118288
High Similarity 0.8583 NPC67300
High Similarity 0.8571 NPC43627
High Similarity 0.8571 NPC272454
High Similarity 0.8571 NPC26433
High Similarity 0.8571 NPC159760
High Similarity 0.8571 NPC301987
High Similarity 0.8571 NPC292665
High Similarity 0.8571 NPC179092
High Similarity 0.8571 NPC222876
High Similarity 0.8571 NPC157478
High Similarity 0.8571 NPC115188
High Similarity 0.8571 NPC35856
High Similarity 0.8571 NPC289572
High Similarity 0.8571 NPC295406
High Similarity 0.8571 NPC244994
High Similarity 0.8571 NPC178395
High Similarity 0.8571 NPC200422
High Similarity 0.856 NPC470831
High Similarity 0.856 NPC7012
High Similarity 0.856 NPC214702
High Similarity 0.8559 NPC233165
High Similarity 0.8559 NPC184579
High Similarity 0.8547 NPC45104
High Similarity 0.8547 NPC240664
High Similarity 0.8522 NPC53953
High Similarity 0.8504 NPC474097
Intermediate Similarity 0.8475 NPC241089
Intermediate Similarity 0.8468 NPC186098
Intermediate Similarity 0.8468 NPC80694
Intermediate Similarity 0.8443 NPC4012
Intermediate Similarity 0.8443 NPC193805
Intermediate Similarity 0.8443 NPC184219
Intermediate Similarity 0.8438 NPC254832
Intermediate Similarity 0.8438 NPC229638
Intermediate Similarity 0.8438 NPC267539
Intermediate Similarity 0.8438 NPC176102
Intermediate Similarity 0.8438 NPC29317
Intermediate Similarity 0.8438 NPC71108
Intermediate Similarity 0.8438 NPC204257
Intermediate Similarity 0.843 NPC217756
Intermediate Similarity 0.843 NPC46634
Intermediate Similarity 0.8413 NPC189823
Intermediate Similarity 0.8413 NPC219892
Intermediate Similarity 0.8403 NPC61779
Intermediate Similarity 0.8403 NPC161617
Intermediate Similarity 0.84 NPC78662
Intermediate Similarity 0.84 NPC8005
Intermediate Similarity 0.839 NPC121259
Intermediate Similarity 0.8376 NPC161304
Intermediate Similarity 0.8376 NPC240163
Intermediate Similarity 0.8374 NPC167055
Intermediate Similarity 0.8374 NPC287473
Intermediate Similarity 0.8374 NPC240744
Intermediate Similarity 0.8347 NPC198336
Intermediate Similarity 0.8346 NPC470160
Intermediate Similarity 0.8333 NPC260837
Intermediate Similarity 0.8333 NPC470092
Intermediate Similarity 0.8319 NPC141523
Intermediate Similarity 0.8319 NPC41567
Intermediate Similarity 0.8304 NPC227255
Intermediate Similarity 0.8295 NPC27407
Intermediate Similarity 0.8295 NPC142027
Intermediate Similarity 0.8293 NPC470162
Intermediate Similarity 0.8293 NPC470163
Intermediate Similarity 0.8288 NPC13426
Intermediate Similarity 0.8281 NPC153783
Intermediate Similarity 0.8279 NPC244351
Intermediate Similarity 0.8279 NPC283514
Intermediate Similarity 0.8276 NPC17693
Intermediate Similarity 0.8273 NPC253746
Intermediate Similarity 0.8268 NPC198249
Intermediate Similarity 0.8264 NPC165197
Intermediate Similarity 0.8254 NPC238309
Intermediate Similarity 0.8241 NPC246679
Intermediate Similarity 0.824 NPC305518
Intermediate Similarity 0.824 NPC128428
Intermediate Similarity 0.824 NPC293387
Intermediate Similarity 0.8235 NPC269414
Intermediate Similarity 0.8235 NPC160199
Intermediate Similarity 0.8231 NPC291454
Intermediate Similarity 0.823 NPC187913
Intermediate Similarity 0.8211 NPC477153
Intermediate Similarity 0.8205 NPC279916
Intermediate Similarity 0.8203 NPC308037
Intermediate Similarity 0.8203 NPC262359
Intermediate Similarity 0.8203 NPC313618
Intermediate Similarity 0.8203 NPC64359
Intermediate Similarity 0.8198 NPC94343
Intermediate Similarity 0.8197 NPC25168
Intermediate Similarity 0.819 NPC114682
Intermediate Similarity 0.8182 NPC474874
Intermediate Similarity 0.8182 NPC294964
Intermediate Similarity 0.8182 NPC52358
Intermediate Similarity 0.8175 NPC473744
Intermediate Similarity 0.8174 NPC75272
Intermediate Similarity 0.8174 NPC471954
Intermediate Similarity 0.8174 NPC234639
Intermediate Similarity 0.8167 NPC283844
Intermediate Similarity 0.8167 NPC171023
Intermediate Similarity 0.8167 NPC209486
Intermediate Similarity 0.8167 NPC474890
Intermediate Similarity 0.8167 NPC161943
Intermediate Similarity 0.8167 NPC273282
Intermediate Similarity 0.8167 NPC184527
Intermediate Similarity 0.8167 NPC40649
Intermediate Similarity 0.8158 NPC29883
Intermediate Similarity 0.8158 NPC226699
Intermediate Similarity 0.8158 NPC34715
Intermediate Similarity 0.8154 NPC182496
Intermediate Similarity 0.8154 NPC180905
Intermediate Similarity 0.8151 NPC477453
Intermediate Similarity 0.8148 NPC130398
Intermediate Similarity 0.8145 NPC236189
Intermediate Similarity 0.8145 NPC145134
Intermediate Similarity 0.8145 NPC117794
Intermediate Similarity 0.814 NPC212631
Intermediate Similarity 0.814 NPC129132
Intermediate Similarity 0.814 NPC87231
Intermediate Similarity 0.814 NPC287533
Intermediate Similarity 0.814 NPC472591
Intermediate Similarity 0.814 NPC205468
Intermediate Similarity 0.814 NPC257756
Intermediate Similarity 0.8136 NPC163154
Intermediate Similarity 0.813 NPC309765
Intermediate Similarity 0.813 NPC69403
Intermediate Similarity 0.813 NPC297193
Intermediate Similarity 0.813 NPC132518
Intermediate Similarity 0.813 NPC291189
Intermediate Similarity 0.813 NPC477151
Intermediate Similarity 0.8125 NPC304638
Intermediate Similarity 0.8115 NPC297186
Intermediate Similarity 0.811 NPC60558
Intermediate Similarity 0.811 NPC473019
Intermediate Similarity 0.811 NPC212379
Intermediate Similarity 0.811 NPC187907
Intermediate Similarity 0.811 NPC261759
Intermediate Similarity 0.811 NPC69235
Intermediate Similarity 0.8108 NPC52472
Intermediate Similarity 0.8106 NPC332594
Intermediate Similarity 0.8106 NPC221104
Intermediate Similarity 0.8106 NPC478200
Intermediate Similarity 0.8106 NPC197666
Intermediate Similarity 0.8106 NPC126739
Intermediate Similarity 0.8106 NPC33144
Intermediate Similarity 0.8099 NPC188814
Intermediate Similarity 0.8099 NPC195262
Intermediate Similarity 0.8099 NPC472593
Intermediate Similarity 0.8095 NPC264428
Intermediate Similarity 0.8092 NPC235115
Intermediate Similarity 0.8092 NPC158481
Intermediate Similarity 0.808 NPC49938
Intermediate Similarity 0.808 NPC472592
Intermediate Similarity 0.808 NPC262671
Intermediate Similarity 0.808 NPC201728
Intermediate Similarity 0.8077 NPC175943
Intermediate Similarity 0.8077 NPC312318
Intermediate Similarity 0.8077 NPC175098
Intermediate Similarity 0.8077 NPC472365
Intermediate Similarity 0.8077 NPC242294
Intermediate Similarity 0.8077 NPC56031
Intermediate Similarity 0.8077 NPC337373
Intermediate Similarity 0.8077 NPC263670
Intermediate Similarity 0.8077 NPC192304
Intermediate Similarity 0.8077 NPC188646
Intermediate Similarity 0.8077 NPC139813
Intermediate Similarity 0.807 NPC6984

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  152.05
ALogP  -0.4491
MLogP  2.01
XLogP  2.585
HDA  2
HBD  1
Rotatable Bonds  4
TPSA  46.53
RO5 Violation  0