Drug Information

Drug ID:  NPD9717
Drug Name:  Aspirin
Molecular Formula:  C9H8O4
Canonical SMILES:  CC(=O)Oc1ccccc1C(=O)O
Standard InCHI:  InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
Standard InCHIKey:  BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9717

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 NPC311219
High Similarity 0.9569 NPC230951
High Similarity 0.9256 NPC4164
High Similarity 0.9145 NPC217423
High Similarity 0.9138 NPC188907
High Similarity 0.9068 NPC94637
High Similarity 0.906 NPC128825
High Similarity 0.9016 NPC6888
High Similarity 0.8992 NPC90522
High Similarity 0.8992 NPC328459
High Similarity 0.896 NPC238309
High Similarity 0.8952 NPC71525
High Similarity 0.8917 NPC72977
High Similarity 0.8917 NPC474874
High Similarity 0.8862 NPC193805
High Similarity 0.8828 NPC287533
High Similarity 0.881 NPC473019
High Similarity 0.8779 NPC332594
High Similarity 0.876 NPC233282
High Similarity 0.874 NPC12694
High Similarity 0.874 NPC307732
High Similarity 0.874 NPC42292
High Similarity 0.8739 NPC33717
High Similarity 0.8667 NPC45104
High Similarity 0.8607 NPC31314
High Similarity 0.8607 NPC193193
High Similarity 0.8583 NPC293453
High Similarity 0.856 NPC91475
High Similarity 0.856 NPC265910
High Similarity 0.8548 NPC291189
High Similarity 0.8548 NPC69403
High Similarity 0.8547 NPC141068
High Similarity 0.8534 NPC100551
High Similarity 0.8516 NPC187907
High Similarity 0.8512 NPC240664
Intermediate Similarity 0.8487 NPC53953
Intermediate Similarity 0.8487 NPC211421
Intermediate Similarity 0.848 NPC93730
Intermediate Similarity 0.8462 NPC470160
Intermediate Similarity 0.8455 NPC470092
Intermediate Similarity 0.8443 NPC32298
Intermediate Similarity 0.8438 NPC2401
Intermediate Similarity 0.843 NPC470860
Intermediate Similarity 0.8425 NPC475236
Intermediate Similarity 0.8425 NPC95309
Intermediate Similarity 0.8413 NPC221798
Intermediate Similarity 0.8413 NPC89630
Intermediate Similarity 0.8385 NPC5515
Intermediate Similarity 0.8385 NPC137264
Intermediate Similarity 0.8385 NPC270369
Intermediate Similarity 0.8374 NPC61779
Intermediate Similarity 0.8374 NPC264976
Intermediate Similarity 0.8374 NPC54243
Intermediate Similarity 0.8374 NPC35744
Intermediate Similarity 0.8372 NPC197425
Intermediate Similarity 0.8359 NPC22783
Intermediate Similarity 0.8359 NPC264428
Intermediate Similarity 0.8359 NPC181715
Intermediate Similarity 0.8359 NPC293387
Intermediate Similarity 0.8321 NPC473584
Intermediate Similarity 0.8321 NPC31872
Intermediate Similarity 0.8321 NPC113006
Intermediate Similarity 0.8321 NPC475589
Intermediate Similarity 0.8309 NPC220106
Intermediate Similarity 0.8308 NPC109778
Intermediate Similarity 0.8308 NPC39753
Intermediate Similarity 0.8308 NPC2989
Intermediate Similarity 0.8308 NPC115998
Intermediate Similarity 0.8296 NPC473988
Intermediate Similarity 0.8295 NPC186098
Intermediate Similarity 0.8295 NPC80694
Intermediate Similarity 0.8284 NPC472516
Intermediate Similarity 0.8276 NPC227255
Intermediate Similarity 0.8271 NPC66705
Intermediate Similarity 0.8271 NPC172262
Intermediate Similarity 0.8271 NPC298900
Intermediate Similarity 0.8268 NPC470162
Intermediate Similarity 0.8268 NPC470163
Intermediate Similarity 0.8268 NPC229113
Intermediate Similarity 0.8268 NPC4012
Intermediate Similarity 0.8268 NPC145134
Intermediate Similarity 0.8258 NPC128216
Intermediate Similarity 0.8258 NPC203817
Intermediate Similarity 0.8258 NPC10971
Intermediate Similarity 0.8258 NPC25937
Intermediate Similarity 0.8248 NPC105648
Intermediate Similarity 0.8244 NPC141549
Intermediate Similarity 0.8244 NPC324488
Intermediate Similarity 0.8235 NPC230902
Intermediate Similarity 0.8231 NPC78662
Intermediate Similarity 0.8231 NPC8005
Intermediate Similarity 0.8231 NPC474289
Intermediate Similarity 0.8222 NPC103001
Intermediate Similarity 0.8222 NPC266597
Intermediate Similarity 0.8222 NPC188879
Intermediate Similarity 0.8222 NPC250266
Intermediate Similarity 0.8222 NPC253616
Intermediate Similarity 0.822 NPC224584
Intermediate Similarity 0.8217 NPC128428
Intermediate Similarity 0.8217 NPC305518
Intermediate Similarity 0.8211 NPC125252
Intermediate Similarity 0.8209 NPC9985
Intermediate Similarity 0.8209 NPC151113
Intermediate Similarity 0.8209 NPC223616
Intermediate Similarity 0.8209 NPC239495
Intermediate Similarity 0.8203 NPC88403
Intermediate Similarity 0.8195 NPC223457
Intermediate Similarity 0.8195 NPC108113
Intermediate Similarity 0.8195 NPC274121
Intermediate Similarity 0.8195 NPC93756
Intermediate Similarity 0.8195 NPC57601
Intermediate Similarity 0.8195 NPC50898
Intermediate Similarity 0.8195 NPC213216
Intermediate Similarity 0.8195 NPC78540
Intermediate Similarity 0.8189 NPC472888
Intermediate Similarity 0.8188 NPC36181
Intermediate Similarity 0.8188 NPC476310
Intermediate Similarity 0.8188 NPC476164
Intermediate Similarity 0.8182 NPC262359
Intermediate Similarity 0.8182 NPC307289
Intermediate Similarity 0.8182 NPC223004
Intermediate Similarity 0.8182 NPC279916
Intermediate Similarity 0.8175 NPC307990
Intermediate Similarity 0.8175 NPC16455
Intermediate Similarity 0.8175 NPC314329
Intermediate Similarity 0.8168 NPC7569
Intermediate Similarity 0.8168 NPC327457
Intermediate Similarity 0.8168 NPC86774
Intermediate Similarity 0.8168 NPC278787
Intermediate Similarity 0.8167 NPC233238
Intermediate Similarity 0.8162 NPC36414
Intermediate Similarity 0.8162 NPC99333
Intermediate Similarity 0.8162 NPC124269
Intermediate Similarity 0.8162 NPC280284
Intermediate Similarity 0.8162 NPC188947
Intermediate Similarity 0.8151 NPC149545
Intermediate Similarity 0.8151 NPC259554
Intermediate Similarity 0.8151 NPC234639
Intermediate Similarity 0.8148 NPC240593
Intermediate Similarity 0.8148 NPC268081
Intermediate Similarity 0.8148 NPC477534
Intermediate Similarity 0.8148 NPC13408
Intermediate Similarity 0.8148 NPC29353
Intermediate Similarity 0.8148 NPC194281
Intermediate Similarity 0.8148 NPC234133
Intermediate Similarity 0.8148 NPC124784
Intermediate Similarity 0.8148 NPC473887
Intermediate Similarity 0.8148 NPC127447
Intermediate Similarity 0.8148 NPC187826
Intermediate Similarity 0.8148 NPC231772
Intermediate Similarity 0.8148 NPC135837
Intermediate Similarity 0.8148 NPC47815
Intermediate Similarity 0.8145 NPC171023
Intermediate Similarity 0.8143 NPC153758
Intermediate Similarity 0.8143 NPC154217
Intermediate Similarity 0.8143 NPC308799
Intermediate Similarity 0.8134 NPC144027
Intermediate Similarity 0.8134 NPC182496
Intermediate Similarity 0.8134 NPC180905
Intermediate Similarity 0.8134 NPC248872
Intermediate Similarity 0.8134 NPC236974
Intermediate Similarity 0.8134 NPC125920
Intermediate Similarity 0.813 NPC312800
Intermediate Similarity 0.8129 NPC188632
Intermediate Similarity 0.8129 NPC87609
Intermediate Similarity 0.8129 NPC66404
Intermediate Similarity 0.8129 NPC95123
Intermediate Similarity 0.8129 NPC470216
Intermediate Similarity 0.8129 NPC196459
Intermediate Similarity 0.8129 NPC470296
Intermediate Similarity 0.8129 NPC112791
Intermediate Similarity 0.8129 NPC10302
Intermediate Similarity 0.8129 NPC105381
Intermediate Similarity 0.8129 NPC94794
Intermediate Similarity 0.8125 NPC107846
Intermediate Similarity 0.812 NPC212631
Intermediate Similarity 0.812 NPC295406
Intermediate Similarity 0.812 NPC139891
Intermediate Similarity 0.812 NPC129132
Intermediate Similarity 0.812 NPC43627
Intermediate Similarity 0.812 NPC87231
Intermediate Similarity 0.812 NPC200422
Intermediate Similarity 0.812 NPC205468
Intermediate Similarity 0.812 NPC289572
Intermediate Similarity 0.812 NPC157478
Intermediate Similarity 0.812 NPC257756
Intermediate Similarity 0.8115 NPC81808
Intermediate Similarity 0.811 NPC46634
Intermediate Similarity 0.8102 NPC136095
Intermediate Similarity 0.8095 NPC302107
Intermediate Similarity 0.8092 NPC69235
Intermediate Similarity 0.8092 NPC212379
Intermediate Similarity 0.8092 NPC66246
Intermediate Similarity 0.8092 NPC170546
Intermediate Similarity 0.8092 NPC939
Intermediate Similarity 0.8088 NPC138047
Intermediate Similarity 0.8088 NPC221046
Intermediate Similarity 0.8088 NPC131782
Intermediate Similarity 0.8088 NPC160972
Intermediate Similarity 0.8088 NPC275055

Drug Structure

External Identifiers

TTD   DAP000843; DAP001506; DNCL001719
DrugBank   DB00945
ChEMBL   CHEMBL25
IUPHAR/BPS   4139
PharmaGKB   PA448497
KEGG Drug   D00109
PubChem CID   2244
ChEBI   15365
CAS Number  50-78-2

Drug Properties

Molecular Weight  180.04
ALogP  -0.321
MLogP  2.01
XLogP  2.575
HDA  3
HBD  1
Rotatable Bonds  5
TPSA  63.6
RO5 Violation  0