Drug Information

Drug ID:  NPD257
Drug Name:  Methyldopa (Racemic)
Molecular Formula:  C10H13NO4
Canonical SMILES:  OC(=O)C(Cc1ccc(c(c1)O)O)(N)C
Standard InCHI:  InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)
Standard InCHIKey:  CJCSPKMFHVPWAR-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD257

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 NPC321561
High Similarity 0.9431 NPC161593
High Similarity 0.9431 NPC16031
High Similarity 0.9431 NPC145888
High Similarity 0.9286 NPC88667
High Similarity 0.8731 NPC66518
High Similarity 0.8571 NPC222084
High Similarity 0.8512 NPC148969
Intermediate Similarity 0.8496 NPC6913
Intermediate Similarity 0.8455 NPC281686
Intermediate Similarity 0.8455 NPC188867
Intermediate Similarity 0.8455 NPC106551
Intermediate Similarity 0.8279 NPC146422
Intermediate Similarity 0.8254 NPC239697
Intermediate Similarity 0.8226 NPC4665
Intermediate Similarity 0.811 NPC319950
Intermediate Similarity 0.8062 NPC27581
Intermediate Similarity 0.8031 NPC317784
Intermediate Similarity 0.8031 NPC142638
Intermediate Similarity 0.8031 NPC63126
Intermediate Similarity 0.8031 NPC85276
Intermediate Similarity 0.7984 NPC326079
Intermediate Similarity 0.7923 NPC194416
Intermediate Similarity 0.7923 NPC177291
Intermediate Similarity 0.7923 NPC322332
Intermediate Similarity 0.7923 NPC142577
Intermediate Similarity 0.7907 NPC118522
Intermediate Similarity 0.7907 NPC115627
Intermediate Similarity 0.7907 NPC169207
Intermediate Similarity 0.7857 NPC142599
Intermediate Similarity 0.7787 NPC1786
Intermediate Similarity 0.7787 NPC294902
Intermediate Similarity 0.7787 NPC1075
Intermediate Similarity 0.7786 NPC472271
Intermediate Similarity 0.7778 NPC325651
Intermediate Similarity 0.7778 NPC264558
Intermediate Similarity 0.7761 NPC476353
Intermediate Similarity 0.7744 NPC471927
Intermediate Similarity 0.7734 NPC61062
Intermediate Similarity 0.7734 NPC277394
Intermediate Similarity 0.7734 NPC299252
Intermediate Similarity 0.7731 NPC245561
Intermediate Similarity 0.771 NPC98305
Intermediate Similarity 0.7704 NPC296712
Intermediate Similarity 0.7687 NPC280767
Intermediate Similarity 0.7674 NPC200988
Intermediate Similarity 0.7674 NPC610
Intermediate Similarity 0.7674 NPC145023
Intermediate Similarity 0.7674 NPC175799
Intermediate Similarity 0.7674 NPC150919
Intermediate Similarity 0.7669 NPC13020
Intermediate Similarity 0.7669 NPC140359
Intermediate Similarity 0.7667 NPC52472
Intermediate Similarity 0.7664 NPC45191
Intermediate Similarity 0.7647 NPC109955
Intermediate Similarity 0.7638 NPC309808
Intermediate Similarity 0.7634 NPC265454
Intermediate Similarity 0.7634 NPC34634
Intermediate Similarity 0.763 NPC236347
Intermediate Similarity 0.763 NPC323775
Intermediate Similarity 0.7623 NPC52087
Intermediate Similarity 0.7623 NPC471511
Intermediate Similarity 0.7623 NPC120719
Intermediate Similarity 0.7619 NPC226250
Intermediate Similarity 0.7615 NPC86198
Intermediate Similarity 0.7615 NPC205502
Intermediate Similarity 0.7612 NPC288945
Intermediate Similarity 0.7612 NPC85565
Intermediate Similarity 0.76 NPC326187
Intermediate Similarity 0.7578 NPC221870
Intermediate Similarity 0.7576 NPC56634
Intermediate Similarity 0.7574 NPC281020
Intermediate Similarity 0.7561 NPC13495
Intermediate Similarity 0.7559 NPC48525
Intermediate Similarity 0.7557 NPC156654
Intermediate Similarity 0.7557 NPC470214
Intermediate Similarity 0.7557 NPC299406
Intermediate Similarity 0.7557 NPC109371
Intermediate Similarity 0.7557 NPC470215
Intermediate Similarity 0.7557 NPC70084
Intermediate Similarity 0.7552 NPC13696
Intermediate Similarity 0.7541 NPC68055
Intermediate Similarity 0.7541 NPC196479
Intermediate Similarity 0.7537 NPC163083
Intermediate Similarity 0.7536 NPC326966
Intermediate Similarity 0.7536 NPC48909
Intermediate Similarity 0.7519 NPC201777
Intermediate Similarity 0.7518 NPC478147
Intermediate Similarity 0.75 NPC260000
Intermediate Similarity 0.75 NPC317592
Intermediate Similarity 0.75 NPC95381
Intermediate Similarity 0.75 NPC477814
Intermediate Similarity 0.7482 NPC244866
Intermediate Similarity 0.7481 NPC203124
Intermediate Similarity 0.7481 NPC309434
Intermediate Similarity 0.748 NPC79672
Intermediate Similarity 0.7479 NPC107522
Intermediate Similarity 0.7463 NPC86900
Intermediate Similarity 0.746 NPC228343
Intermediate Similarity 0.746 NPC254833
Intermediate Similarity 0.7459 NPC110764
Intermediate Similarity 0.7445 NPC158654
Intermediate Similarity 0.7444 NPC236520
Intermediate Similarity 0.7444 NPC294361
Intermediate Similarity 0.7442 NPC328593
Intermediate Similarity 0.7442 NPC261453
Intermediate Similarity 0.7442 NPC33749
Intermediate Similarity 0.7438 NPC280869
Intermediate Similarity 0.7426 NPC257589
Intermediate Similarity 0.7426 NPC53305
Intermediate Similarity 0.7424 NPC268572
Intermediate Similarity 0.7422 NPC131530
Intermediate Similarity 0.7419 NPC239291
Intermediate Similarity 0.741 NPC326599
Intermediate Similarity 0.741 NPC329595
Intermediate Similarity 0.7407 NPC318777
Intermediate Similarity 0.7405 NPC278652
Intermediate Similarity 0.7388 NPC474862
Intermediate Similarity 0.7385 NPC474967
Intermediate Similarity 0.7385 NPC233669
Intermediate Similarity 0.7381 NPC31274
Intermediate Similarity 0.7377 NPC223393
Intermediate Similarity 0.7372 NPC92207
Intermediate Similarity 0.7372 NPC127937
Intermediate Similarity 0.7357 NPC33338
Intermediate Similarity 0.7357 NPC302171
Intermediate Similarity 0.7357 NPC300020
Intermediate Similarity 0.7348 NPC328694
Intermediate Similarity 0.7348 NPC122009
Intermediate Similarity 0.7348 NPC104514
Intermediate Similarity 0.7344 NPC297657
Intermediate Similarity 0.7339 NPC12278
Intermediate Similarity 0.7338 NPC241354
Intermediate Similarity 0.7338 NPC226855
Intermediate Similarity 0.7333 NPC114298
Intermediate Similarity 0.7328 NPC281277
Intermediate Similarity 0.7324 NPC176814
Intermediate Similarity 0.7324 NPC5310
Intermediate Similarity 0.7324 NPC68779
Intermediate Similarity 0.7324 NPC300776
Intermediate Similarity 0.7324 NPC4982
Intermediate Similarity 0.7323 NPC71266
Intermediate Similarity 0.7319 NPC20404
Intermediate Similarity 0.7319 NPC12022
Intermediate Similarity 0.7319 NPC293641
Intermediate Similarity 0.7319 NPC20287
Intermediate Similarity 0.7313 NPC470849
Intermediate Similarity 0.7313 NPC470848
Intermediate Similarity 0.7313 NPC284078
Intermediate Similarity 0.7308 NPC217472
Intermediate Similarity 0.7299 NPC318965
Intermediate Similarity 0.7295 NPC131587
Intermediate Similarity 0.7295 NPC125732
Intermediate Similarity 0.7293 NPC42657
Intermediate Similarity 0.7293 NPC241634
Intermediate Similarity 0.7293 NPC263386
Intermediate Similarity 0.7293 NPC141791
Intermediate Similarity 0.7292 NPC241086
Intermediate Similarity 0.7292 NPC318028
Intermediate Similarity 0.7292 NPC318984
Intermediate Similarity 0.7292 NPC282087
Intermediate Similarity 0.7292 NPC317741
Intermediate Similarity 0.7292 NPC328137
Intermediate Similarity 0.7292 NPC259800
Intermediate Similarity 0.729 NPC158900
Intermediate Similarity 0.7287 NPC51698
Intermediate Similarity 0.7287 NPC17693
Intermediate Similarity 0.7279 NPC242372
Intermediate Similarity 0.7279 NPC4181
Intermediate Similarity 0.7279 NPC164778
Intermediate Similarity 0.7279 NPC257976
Intermediate Similarity 0.7279 NPC125852
Intermediate Similarity 0.7273 NPC43353
Intermediate Similarity 0.7273 NPC113295
Intermediate Similarity 0.7273 NPC470990
Intermediate Similarity 0.7273 NPC65791
Intermediate Similarity 0.7273 NPC283468
Intermediate Similarity 0.7266 NPC174096
Intermediate Similarity 0.7266 NPC226401
Intermediate Similarity 0.7266 NPC278308
Intermediate Similarity 0.7266 NPC226661
Intermediate Similarity 0.7266 NPC120982
Intermediate Similarity 0.7266 NPC147634
Intermediate Similarity 0.7266 NPC79793
Intermediate Similarity 0.7258 NPC13426
Intermediate Similarity 0.7254 NPC471749
Intermediate Similarity 0.7254 NPC129889
Intermediate Similarity 0.7254 NPC307006
Intermediate Similarity 0.7254 NPC475468
Intermediate Similarity 0.7254 NPC239855
Intermediate Similarity 0.7254 NPC168799
Intermediate Similarity 0.7254 NPC155209
Intermediate Similarity 0.7246 NPC303680
Intermediate Similarity 0.7246 NPC84076
Intermediate Similarity 0.7246 NPC90128
Intermediate Similarity 0.7241 NPC323123
Intermediate Similarity 0.7239 NPC260837
Intermediate Similarity 0.7234 NPC318799
Intermediate Similarity 0.7234 NPC198388
Intermediate Similarity 0.7234 NPC243305

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  211.08
ALogP  -1.4345
MLogP  2.01
XLogP  -2.001
HDA  3
HBD  4
Rotatable Bonds  8
TPSA  103.78
RO5 Violation  0