Drug Information

Drug ID:  NPD1819
Drug Name:  Metoprolol Tartrate
Molecular Formula:  C15H25NO3.C4H6O6
Canonical SMILES:  OC(C(C(=O)O)O)C(=O)O.COCCc1ccc(cc1)OCC(CNC(C)C)O
Standard InCHI:  InChI=1S/C15H25NO3.C4H6O6/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
Standard InCHIKey:  WPTKISQJQVFSQI-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1819

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 NPC320242
High Similarity 0.9667 NPC136112
High Similarity 0.9667 NPC141739
High Similarity 0.9516 NPC307123
High Similarity 0.9516 NPC247018
High Similarity 0.9516 NPC97870
High Similarity 0.8855 NPC318591
High Similarity 0.8855 NPC231163
High Similarity 0.8657 NPC204546
Intermediate Similarity 0.843 NPC26524
Intermediate Similarity 0.8281 NPC328267
Intermediate Similarity 0.8017 NPC97811
Intermediate Similarity 0.7983 NPC108875
Intermediate Similarity 0.7983 NPC38079
Intermediate Similarity 0.7923 NPC298486
Intermediate Similarity 0.7917 NPC470393
Intermediate Similarity 0.7886 NPC46844
Intermediate Similarity 0.7857 NPC213
Intermediate Similarity 0.7857 NPC10286
Intermediate Similarity 0.7815 NPC51633
Intermediate Similarity 0.7787 NPC194034
Intermediate Similarity 0.7769 NPC42383
Intermediate Similarity 0.776 NPC115379
Intermediate Similarity 0.775 NPC192596
Intermediate Similarity 0.7721 NPC329595
Intermediate Similarity 0.7721 NPC326599
Intermediate Similarity 0.7718 NPC37205
Intermediate Similarity 0.7718 NPC160931
Intermediate Similarity 0.7664 NPC274732
Intermediate Similarity 0.7647 NPC100870
Intermediate Similarity 0.7642 NPC251306
Intermediate Similarity 0.7597 NPC120075
Intermediate Similarity 0.7594 NPC140359
Intermediate Similarity 0.7594 NPC255253
Intermediate Similarity 0.7594 NPC13020
Intermediate Similarity 0.7581 NPC146530
Intermediate Similarity 0.7559 NPC301735
Intermediate Similarity 0.7557 NPC321133
Intermediate Similarity 0.7557 NPC263835
Intermediate Similarity 0.754 NPC21890
Intermediate Similarity 0.754 NPC55300
Intermediate Similarity 0.754 NPC166837
Intermediate Similarity 0.7536 NPC208757
Intermediate Similarity 0.7535 NPC189724
Intermediate Similarity 0.7535 NPC212850
Intermediate Similarity 0.7535 NPC83289
Intermediate Similarity 0.752 NPC24777
Intermediate Similarity 0.7517 NPC203424
Intermediate Similarity 0.7517 NPC206372
Intermediate Similarity 0.75 NPC186469
Intermediate Similarity 0.7481 NPC256369
Intermediate Similarity 0.748 NPC165646
Intermediate Similarity 0.748 NPC473855
Intermediate Similarity 0.748 NPC8302
Intermediate Similarity 0.7467 NPC233926
Intermediate Similarity 0.7462 NPC137096
Intermediate Similarity 0.746 NPC137685
Intermediate Similarity 0.7451 NPC158900
Intermediate Similarity 0.7444 NPC211992
Intermediate Similarity 0.7426 NPC236347
Intermediate Similarity 0.7426 NPC323775
Intermediate Similarity 0.7417 NPC313918
Intermediate Similarity 0.741 NPC470392
Intermediate Similarity 0.7407 NPC62101
Intermediate Similarity 0.7407 NPC95733
Intermediate Similarity 0.7405 NPC101503
Intermediate Similarity 0.7398 NPC304761
Intermediate Similarity 0.7398 NPC150254
Intermediate Similarity 0.7398 NPC147000
Intermediate Similarity 0.7398 NPC226778
Intermediate Similarity 0.7394 NPC253429
Intermediate Similarity 0.7391 NPC262641
Intermediate Similarity 0.7388 NPC71090
Intermediate Similarity 0.7383 NPC47672
Intermediate Similarity 0.7381 NPC474272
Intermediate Similarity 0.7381 NPC290566
Intermediate Similarity 0.7381 NPC145638
Intermediate Similarity 0.7372 NPC198798
Intermediate Similarity 0.7368 NPC318357
Intermediate Similarity 0.7364 NPC235250
Intermediate Similarity 0.736 NPC258171
Intermediate Similarity 0.7355 NPC471576
Intermediate Similarity 0.7353 NPC29477
Intermediate Similarity 0.7348 NPC163036
Intermediate Similarity 0.7347 NPC245974
Intermediate Similarity 0.7333 NPC217277
Intermediate Similarity 0.7333 NPC211218
Intermediate Similarity 0.7329 NPC247298
Intermediate Similarity 0.7329 NPC294249
Intermediate Similarity 0.7328 NPC164386
Intermediate Similarity 0.7323 NPC95977
Intermediate Similarity 0.7317 NPC305205
Intermediate Similarity 0.7313 NPC290451
Intermediate Similarity 0.7313 NPC127389
Intermediate Similarity 0.7293 NPC469708
Intermediate Similarity 0.7293 NPC60589
Intermediate Similarity 0.729 NPC469479
Intermediate Similarity 0.7288 NPC321956
Intermediate Similarity 0.7286 NPC471953
Intermediate Similarity 0.7279 NPC48990
Intermediate Similarity 0.7279 NPC94276
Intermediate Similarity 0.7279 NPC293701
Intermediate Similarity 0.7279 NPC109822
Intermediate Similarity 0.7279 NPC114901
Intermediate Similarity 0.7273 NPC474673
Intermediate Similarity 0.7246 NPC291847
Intermediate Similarity 0.7239 NPC269242
Intermediate Similarity 0.7239 NPC83279
Intermediate Similarity 0.7239 NPC469412
Intermediate Similarity 0.7239 NPC198734
Intermediate Similarity 0.7237 NPC477564
Intermediate Similarity 0.7237 NPC2295
Intermediate Similarity 0.7236 NPC327226
Intermediate Similarity 0.7234 NPC160692
Intermediate Similarity 0.7226 NPC194519
Intermediate Similarity 0.7222 NPC227894
Intermediate Similarity 0.7219 NPC277669
Intermediate Similarity 0.7219 NPC76213
Intermediate Similarity 0.7218 NPC135961
Intermediate Similarity 0.7218 NPC311595
Intermediate Similarity 0.7218 NPC43275
Intermediate Similarity 0.7218 NPC24474
Intermediate Similarity 0.7206 NPC307020
Intermediate Similarity 0.7203 NPC318429
Intermediate Similarity 0.7203 NPC71853
Intermediate Similarity 0.72 NPC207824
Intermediate Similarity 0.72 NPC60538
Intermediate Similarity 0.7197 NPC323948
Intermediate Similarity 0.7188 NPC25067
Intermediate Similarity 0.7188 NPC88868
Intermediate Similarity 0.7188 NPC231251
Intermediate Similarity 0.7185 NPC470804
Intermediate Similarity 0.7176 NPC303370
Intermediate Similarity 0.7174 NPC191037
Intermediate Similarity 0.7174 NPC58607
Intermediate Similarity 0.7174 NPC322366
Intermediate Similarity 0.7174 NPC178284
Intermediate Similarity 0.7165 NPC309982
Intermediate Similarity 0.7163 NPC118419
Intermediate Similarity 0.7153 NPC41473
Intermediate Similarity 0.7153 NPC14600
Intermediate Similarity 0.7153 NPC204848
Intermediate Similarity 0.7153 NPC160607
Intermediate Similarity 0.7153 NPC193528
Intermediate Similarity 0.7153 NPC312770
Intermediate Similarity 0.7153 NPC105513
Intermediate Similarity 0.7152 NPC469711
Intermediate Similarity 0.7143 NPC85276
Intermediate Similarity 0.7143 NPC474214
Intermediate Similarity 0.7143 NPC113457
Intermediate Similarity 0.7143 NPC176971
Intermediate Similarity 0.7143 NPC255675
Intermediate Similarity 0.7143 NPC329980
Intermediate Similarity 0.7134 NPC293871
Intermediate Similarity 0.7134 NPC124433
Intermediate Similarity 0.7132 NPC78918
Intermediate Similarity 0.7132 NPC156840
Intermediate Similarity 0.7132 NPC476142
Intermediate Similarity 0.7132 NPC173746
Intermediate Similarity 0.7132 NPC8547
Intermediate Similarity 0.7132 NPC139617
Intermediate Similarity 0.7132 NPC257124
Intermediate Similarity 0.7131 NPC95755
Intermediate Similarity 0.7124 NPC156311
Intermediate Similarity 0.7123 NPC195814
Intermediate Similarity 0.7123 NPC323204
Intermediate Similarity 0.7123 NPC66518
Intermediate Similarity 0.7122 NPC118787
Intermediate Similarity 0.7122 NPC153990
Intermediate Similarity 0.7122 NPC41706
Intermediate Similarity 0.7122 NPC292056
Intermediate Similarity 0.7122 NPC111247
Intermediate Similarity 0.7122 NPC474119
Intermediate Similarity 0.7122 NPC183181
Intermediate Similarity 0.7122 NPC147821
Intermediate Similarity 0.7122 NPC319625
Intermediate Similarity 0.7122 NPC163332
Intermediate Similarity 0.7121 NPC290470
Intermediate Similarity 0.7121 NPC221049
Intermediate Similarity 0.7121 NPC154256
Intermediate Similarity 0.7121 NPC258992
Intermediate Similarity 0.712 NPC283546
Intermediate Similarity 0.712 NPC292792
Intermediate Similarity 0.7119 NPC99886
Intermediate Similarity 0.7119 NPC8002
Intermediate Similarity 0.7119 NPC177844
Intermediate Similarity 0.7119 NPC259134
Intermediate Similarity 0.7111 NPC473875
Intermediate Similarity 0.7111 NPC207613
Intermediate Similarity 0.7103 NPC36434
Intermediate Similarity 0.7101 NPC124776
Intermediate Similarity 0.7099 NPC161696
Intermediate Similarity 0.7097 NPC307425
Intermediate Similarity 0.709 NPC181969
Intermediate Similarity 0.709 NPC474320
Intermediate Similarity 0.709 NPC320987
Intermediate Similarity 0.7089 NPC469505
Intermediate Similarity 0.7087 NPC157473
Intermediate Similarity 0.7087 NPC151530
Intermediate Similarity 0.7071 NPC283079

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  267.18
ALogP  -0.7944
MLogP  2.67
XLogP  2.034
HDA  3
HBD  2
Rotatable Bonds  13
TPSA  50.72
RO5 Violation  0