Drug Information

Drug ID:  NPD74
Drug Name:  Magnesium salicylate
Molecular Formula:  2C7H6O3.Mg
Canonical SMILES:  OC(=O)c1ccccc1O.[O-]C(=O)c1ccccc1[O-].[Mg+2]
Standard InCHI:  InChI=1S/2C7H6O3.Mg/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2
Standard InCHIKey:  MQHWFIOJQSCFNM-UHFFFAOYSA-L
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD74

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 NPC100551
High Similarity 0.934 NPC223004
High Similarity 0.934 NPC211421
High Similarity 0.9259 NPC312800
High Similarity 0.9259 NPC128825
High Similarity 0.9135 NPC303264
High Similarity 0.9091 NPC94637
High Similarity 0.9091 NPC241089
High Similarity 0.9048 NPC224584
High Similarity 0.9009 NPC90522
High Similarity 0.9009 NPC328459
High Similarity 0.9 NPC125252
High Similarity 0.8929 NPC72977
High Similarity 0.8929 NPC260837
High Similarity 0.8929 NPC233282
High Similarity 0.8857 NPC187913
High Similarity 0.8839 NPC233165
High Similarity 0.8839 NPC184579
High Similarity 0.8774 NPC29883
High Similarity 0.8727 NPC276111
High Similarity 0.8727 NPC118288
High Similarity 0.8684 NPC179092
High Similarity 0.8684 NPC272454
High Similarity 0.8684 NPC159760
High Similarity 0.8684 NPC301987
High Similarity 0.8684 NPC115188
High Similarity 0.8684 NPC292665
High Similarity 0.8684 NPC222876
High Similarity 0.8684 NPC244994
High Similarity 0.8684 NPC26433
High Similarity 0.8684 NPC178395
High Similarity 0.8684 NPC35856
High Similarity 0.8679 NPC184658
High Similarity 0.8609 NPC198336
High Similarity 0.8598 NPC141523
High Similarity 0.8584 NPC283844
High Similarity 0.8571 NPC13426
High Similarity 0.8559 NPC163154
High Similarity 0.8534 NPC283514
High Similarity 0.8534 NPC311219
High Similarity 0.8534 NPC244351
High Similarity 0.8529 NPC246679
High Similarity 0.8509 NPC161617
Intermediate Similarity 0.8496 NPC121259
Intermediate Similarity 0.8482 NPC240163
Intermediate Similarity 0.8482 NPC161304
Intermediate Similarity 0.8482 NPC188907
Intermediate Similarity 0.8475 NPC179468
Intermediate Similarity 0.8475 NPC4164
Intermediate Similarity 0.8468 NPC98543
Intermediate Similarity 0.8407 NPC108288
Intermediate Similarity 0.8403 NPC95309
Intermediate Similarity 0.84 NPC62765
Intermediate Similarity 0.839 NPC91475
Intermediate Similarity 0.839 NPC265910
Intermediate Similarity 0.839 NPC236189
Intermediate Similarity 0.8381 NPC52472
Intermediate Similarity 0.8362 NPC297186
Intermediate Similarity 0.8362 NPC165197
Intermediate Similarity 0.8348 NPC195262
Intermediate Similarity 0.8348 NPC188814
Intermediate Similarity 0.8333 NPC217423
Intermediate Similarity 0.8333 NPC269414
Intermediate Similarity 0.8333 NPC160199
Intermediate Similarity 0.8333 NPC28169
Intermediate Similarity 0.8333 NPC71525
Intermediate Similarity 0.8333 NPC230349
Intermediate Similarity 0.8319 NPC167055
Intermediate Similarity 0.8319 NPC240744
Intermediate Similarity 0.8305 NPC477153
Intermediate Similarity 0.8291 NPC156139
Intermediate Similarity 0.8291 NPC143427
Intermediate Similarity 0.8291 NPC115159
Intermediate Similarity 0.8291 NPC73532
Intermediate Similarity 0.8291 NPC45438
Intermediate Similarity 0.8291 NPC267552
Intermediate Similarity 0.8291 NPC19174
Intermediate Similarity 0.8291 NPC224273
Intermediate Similarity 0.8291 NPC25168
Intermediate Similarity 0.8288 NPC114682
Intermediate Similarity 0.8286 NPC245561
Intermediate Similarity 0.8264 NPC95537
Intermediate Similarity 0.8261 NPC474890
Intermediate Similarity 0.8261 NPC184527
Intermediate Similarity 0.8261 NPC161943
Intermediate Similarity 0.8261 NPC41567
Intermediate Similarity 0.8261 NPC273282
Intermediate Similarity 0.8261 NPC40649
Intermediate Similarity 0.8261 NPC209486
Intermediate Similarity 0.8257 NPC226699
Intermediate Similarity 0.8257 NPC34715
Intermediate Similarity 0.8246 NPC477453
Intermediate Similarity 0.8241 NPC219913
Intermediate Similarity 0.8241 NPC163734
Intermediate Similarity 0.8235 NPC6888
Intermediate Similarity 0.823 NPC81808
Intermediate Similarity 0.822 NPC133909
Intermediate Similarity 0.822 NPC297193
Intermediate Similarity 0.822 NPC32032
Intermediate Similarity 0.822 NPC309765
Intermediate Similarity 0.8182 NPC214620
Intermediate Similarity 0.8182 NPC181715
Intermediate Similarity 0.8167 NPC201728
Intermediate Similarity 0.8167 NPC262671
Intermediate Similarity 0.8167 NPC287473
Intermediate Similarity 0.8165 NPC6984
Intermediate Similarity 0.8142 NPC242136
Intermediate Similarity 0.8136 NPC196976
Intermediate Similarity 0.8136 NPC242895
Intermediate Similarity 0.8136 NPC303737
Intermediate Similarity 0.813 NPC31539
Intermediate Similarity 0.813 NPC42292
Intermediate Similarity 0.813 NPC307732
Intermediate Similarity 0.812 NPC294037
Intermediate Similarity 0.812 NPC206778
Intermediate Similarity 0.812 NPC285829
Intermediate Similarity 0.812 NPC294964
Intermediate Similarity 0.812 NPC230951
Intermediate Similarity 0.8108 NPC95172
Intermediate Similarity 0.8099 NPC473751
Intermediate Similarity 0.8087 NPC83718
Intermediate Similarity 0.8087 NPC131192
Intermediate Similarity 0.8083 NPC193805
Intermediate Similarity 0.8083 NPC13238
Intermediate Similarity 0.8083 NPC117794
Intermediate Similarity 0.8077 NPC32977
Intermediate Similarity 0.8077 NPC81010
Intermediate Similarity 0.8073 NPC13495
Intermediate Similarity 0.8065 NPC198249
Intermediate Similarity 0.8056 NPC470202
Intermediate Similarity 0.8051 NPC149246
Intermediate Similarity 0.8051 NPC146642
Intermediate Similarity 0.8034 NPC158222
Intermediate Similarity 0.8034 NPC232178
Intermediate Similarity 0.8018 NPC17525
Intermediate Similarity 0.8017 NPC472592
Intermediate Similarity 0.8 NPC317592
Intermediate Similarity 0.8 NPC257182
Intermediate Similarity 0.8 NPC318107
Intermediate Similarity 0.8 NPC61944
Intermediate Similarity 0.7984 NPC17840
Intermediate Similarity 0.7984 NPC247477
Intermediate Similarity 0.7984 NPC12694
Intermediate Similarity 0.7983 NPC215392
Intermediate Similarity 0.7982 NPC93831
Intermediate Similarity 0.7967 NPC293453
Intermediate Similarity 0.7967 NPC41263
Intermediate Similarity 0.7966 NPC7151
Intermediate Similarity 0.7966 NPC473662
Intermediate Similarity 0.7966 NPC159525
Intermediate Similarity 0.7966 NPC216297
Intermediate Similarity 0.7965 NPC212718
Intermediate Similarity 0.7965 NPC228609
Intermediate Similarity 0.7951 NPC62952
Intermediate Similarity 0.7951 NPC8745
Intermediate Similarity 0.7949 NPC27633
Intermediate Similarity 0.7949 NPC94298
Intermediate Similarity 0.7944 NPC280869
Intermediate Similarity 0.7937 NPC289572
Intermediate Similarity 0.7937 NPC43627
Intermediate Similarity 0.7937 NPC157478
Intermediate Similarity 0.7937 NPC200422
Intermediate Similarity 0.7937 NPC295406
Intermediate Similarity 0.7925 NPC253423
Intermediate Similarity 0.7925 NPC283711
Intermediate Similarity 0.792 NPC470831
Intermediate Similarity 0.792 NPC7012
Intermediate Similarity 0.792 NPC214702
Intermediate Similarity 0.7917 NPC307174
Intermediate Similarity 0.7917 NPC300274
Intermediate Similarity 0.7917 NPC67300
Intermediate Similarity 0.7917 NPC68167
Intermediate Similarity 0.7917 NPC91105
Intermediate Similarity 0.7917 NPC46634
Intermediate Similarity 0.7909 NPC303141
Intermediate Similarity 0.7895 NPC17693
Intermediate Similarity 0.7886 NPC30501
Intermediate Similarity 0.7886 NPC169250
Intermediate Similarity 0.7886 NPC100067
Intermediate Similarity 0.7886 NPC98254
Intermediate Similarity 0.7886 NPC23126
Intermediate Similarity 0.7886 NPC190043
Intermediate Similarity 0.7886 NPC105157
Intermediate Similarity 0.7886 NPC266689
Intermediate Similarity 0.7886 NPC162612
Intermediate Similarity 0.7886 NPC72158
Intermediate Similarity 0.7886 NPC103356
Intermediate Similarity 0.7881 NPC156654
Intermediate Similarity 0.7876 NPC116842
Intermediate Similarity 0.7874 NPC474097
Intermediate Similarity 0.7869 NPC10926
Intermediate Similarity 0.7863 NPC240664
Intermediate Similarity 0.7863 NPC45104
Intermediate Similarity 0.7851 NPC65761
Intermediate Similarity 0.7851 NPC375356
Intermediate Similarity 0.7851 NPC472029
Intermediate Similarity 0.7851 NPC174991
Intermediate Similarity 0.785 NPC260000
Intermediate Similarity 0.785 NPC229242
Intermediate Similarity 0.7838 NPC95178

Drug Structure

External Identifiers

TTD  
DrugBank   DB01397
ChEMBL   CHEMBL2106755
IUPHAR/BPS  
PharmaGKB   PA450300
KEGG Drug  
PubChem CID  
ChEBI   6640
CAS Number  18917-89-0

Drug Properties

Molecular Weight  138.03
ALogP  -0.7001
MLogP  1.9
XLogP  2.264
HDA  2
HBD  2
Rotatable Bonds  3
TPSA  57.53
RO5 Violation  0