Drug Information

Drug ID:  NPD9537
Drug Name:  Fluorodopa F 18
Molecular Formula:  C9H10FNO4
Canonical SMILES:  OC(=O)C(Cc1cc(O)c(cc1[18F])O)N
Standard InCHI:  InChI=1S/C9H10FNO4/c10-5-3-8(13)7(12)2-4(5)1-6(11)9(14)15/h2-3,6,12-13H,1,11H2,(H,14,15)/i10-1
Standard InCHIKey:  PAXWQORCRCBOCU-LMANFOLPSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9537

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 0.9675 NPC145888
High Similarity 0.9675 NPC161593
High Similarity 0.9675 NPC16031
High Similarity 0.937 NPC88667
High Similarity 0.9127 NPC321561
High Similarity 0.8815 NPC66518
High Similarity 0.8699 NPC106551
High Similarity 0.8699 NPC281686
High Similarity 0.8699 NPC188867
High Similarity 0.8582 NPC6913
Intermediate Similarity 0.8492 NPC239697
Intermediate Similarity 0.8413 NPC142638
Intermediate Similarity 0.8413 NPC317784
Intermediate Similarity 0.8374 NPC146422
Intermediate Similarity 0.8295 NPC27581
Intermediate Similarity 0.8217 NPC326079
Intermediate Similarity 0.8211 NPC222084
Intermediate Similarity 0.8062 NPC319950
Intermediate Similarity 0.8016 NPC148969
Intermediate Similarity 0.8 NPC325651
Intermediate Similarity 0.8 NPC169207
Intermediate Similarity 0.8 NPC115627
Intermediate Similarity 0.8 NPC118522
Intermediate Similarity 0.7984 NPC85276
Intermediate Similarity 0.7891 NPC4665
Intermediate Similarity 0.7879 NPC142577
Intermediate Similarity 0.7754 NPC48909
Intermediate Similarity 0.771 NPC63126
Intermediate Similarity 0.7674 NPC142599
Intermediate Similarity 0.7669 NPC56634
Intermediate Similarity 0.7642 NPC68055
Intermediate Similarity 0.7639 NPC13696
Intermediate Similarity 0.763 NPC13020
Intermediate Similarity 0.763 NPC318777
Intermediate Similarity 0.763 NPC140359
Intermediate Similarity 0.7626 NPC326966
Intermediate Similarity 0.7626 NPC45191
Intermediate Similarity 0.7591 NPC476353
Intermediate Similarity 0.7591 NPC323775
Intermediate Similarity 0.7591 NPC236347
Intermediate Similarity 0.7571 NPC302171
Intermediate Similarity 0.7571 NPC300020
Intermediate Similarity 0.7571 NPC33338
Intermediate Similarity 0.7536 NPC296712
Intermediate Similarity 0.75 NPC318984
Intermediate Similarity 0.75 NPC197239
Intermediate Similarity 0.75 NPC241086
Intermediate Similarity 0.75 NPC317741
Intermediate Similarity 0.75 NPC328137
Intermediate Similarity 0.75 NPC282087
Intermediate Similarity 0.75 NPC259800
Intermediate Similarity 0.75 NPC326860
Intermediate Similarity 0.75 NPC318028
Intermediate Similarity 0.7482 NPC478147
Intermediate Similarity 0.7481 NPC177291
Intermediate Similarity 0.7481 NPC194416
Intermediate Similarity 0.7481 NPC472271
Intermediate Similarity 0.7481 NPC322332
Intermediate Similarity 0.746 NPC294902
Intermediate Similarity 0.746 NPC1786
Intermediate Similarity 0.746 NPC1075
Intermediate Similarity 0.7447 NPC244866
Intermediate Similarity 0.7431 NPC48202
Intermediate Similarity 0.7424 NPC61062
Intermediate Similarity 0.7424 NPC277394
Intermediate Similarity 0.7424 NPC299252
Intermediate Similarity 0.7398 NPC125732
Intermediate Similarity 0.7398 NPC245561
Intermediate Similarity 0.7391 NPC318965
Intermediate Similarity 0.7388 NPC268572
Intermediate Similarity 0.7376 NPC329595
Intermediate Similarity 0.7376 NPC326599
Intermediate Similarity 0.7372 NPC158900
Intermediate Similarity 0.7365 NPC125852
Intermediate Similarity 0.7353 NPC474862
Intermediate Similarity 0.7339 NPC52472
Intermediate Similarity 0.7329 NPC323123
Intermediate Similarity 0.7328 NPC264558
Intermediate Similarity 0.7328 NPC309808
Intermediate Similarity 0.7319 NPC85565
Intermediate Similarity 0.7319 NPC471927
Intermediate Similarity 0.7319 NPC288945
Intermediate Similarity 0.7317 NPC109955
Intermediate Similarity 0.7313 NPC122009
Intermediate Similarity 0.7287 NPC326187
Intermediate Similarity 0.7287 NPC290566
Intermediate Similarity 0.7287 NPC145638
Intermediate Similarity 0.7279 NPC284078
Intermediate Similarity 0.7266 NPC280767
Intermediate Similarity 0.726 NPC211468
Intermediate Similarity 0.726 NPC170170
Intermediate Similarity 0.726 NPC219233
Intermediate Similarity 0.7259 NPC156654
Intermediate Similarity 0.7244 NPC13495
Intermediate Similarity 0.7239 NPC150919
Intermediate Similarity 0.7239 NPC283468
Intermediate Similarity 0.7236 NPC293628
Intermediate Similarity 0.7236 NPC122493
Intermediate Similarity 0.7236 NPC10781
Intermediate Similarity 0.7236 NPC324569
Intermediate Similarity 0.7206 NPC34634
Intermediate Similarity 0.7206 NPC265454
Intermediate Similarity 0.72 NPC17760
Intermediate Similarity 0.7188 NPC317592
Intermediate Similarity 0.7185 NPC205502
Intermediate Similarity 0.7176 NPC163674
Intermediate Similarity 0.7176 NPC226250
Intermediate Similarity 0.7172 NPC6570
Intermediate Similarity 0.7171 NPC241392
Intermediate Similarity 0.7165 NPC52087
Intermediate Similarity 0.7165 NPC471511
Intermediate Similarity 0.7163 NPC281020
Intermediate Similarity 0.7153 NPC98305
Intermediate Similarity 0.7153 NPC236520
Intermediate Similarity 0.7153 NPC294361
Intermediate Similarity 0.7143 NPC221870
Intermediate Similarity 0.7143 NPC110764
Intermediate Similarity 0.7132 NPC283760
Intermediate Similarity 0.7132 NPC299406
Intermediate Similarity 0.7121 NPC131530
Intermediate Similarity 0.7121 NPC48525
Intermediate Similarity 0.7113 NPC271808
Intermediate Similarity 0.7111 NPC200988
Intermediate Similarity 0.7111 NPC137096
Intermediate Similarity 0.7111 NPC145023
Intermediate Similarity 0.7111 NPC278652
Intermediate Similarity 0.7111 NPC610
Intermediate Similarity 0.7111 NPC175799
Intermediate Similarity 0.7111 NPC120075
Intermediate Similarity 0.7087 NPC196479
Intermediate Similarity 0.7083 NPC470392
Intermediate Similarity 0.7075 NPC238412
Intermediate Similarity 0.7068 NPC95381
Intermediate Similarity 0.7063 NPC241354
Intermediate Similarity 0.7063 NPC29601
Intermediate Similarity 0.7063 NPC223393
Intermediate Similarity 0.7059 NPC203124
Intermediate Similarity 0.7059 NPC309434
Intermediate Similarity 0.7059 NPC86198
Intermediate Similarity 0.705 NPC225710
Intermediate Similarity 0.705 NPC86900
Intermediate Similarity 0.7045 NPC297657
Intermediate Similarity 0.7045 NPC280382
Intermediate Similarity 0.7042 NPC158654
Intermediate Similarity 0.704 NPC260000
Intermediate Similarity 0.7034 NPC243404
Intermediate Similarity 0.7031 NPC120719
Intermediate Similarity 0.7031 NPC79672
Intermediate Similarity 0.7031 NPC12278
Intermediate Similarity 0.7023 NPC71266
Intermediate Similarity 0.702 NPC294249
Intermediate Similarity 0.7016 NPC107522
Intermediate Similarity 0.7015 NPC33749
Intermediate Similarity 0.7015 NPC328593
Intermediate Similarity 0.7015 NPC217472
Intermediate Similarity 0.7015 NPC261453
Intermediate Similarity 0.7007 NPC141791
Intermediate Similarity 0.7007 NPC70084
Intermediate Similarity 0.7007 NPC470214
Intermediate Similarity 0.7007 NPC263386
Intermediate Similarity 0.7007 NPC470215
Intermediate Similarity 0.7007 NPC109371
Intermediate Similarity 0.7 NPC163083
Remote Similarity 0.6992 NPC51698
Remote Similarity 0.6984 NPC280869
Remote Similarity 0.6984 NPC131587
Remote Similarity 0.698 NPC91953
Remote Similarity 0.6978 NPC201777
Remote Similarity 0.6978 NPC211992
Remote Similarity 0.6977 NPC239291
Remote Similarity 0.6966 NPC318799
Remote Similarity 0.6966 NPC198388
Remote Similarity 0.6966 NPC208757
Remote Similarity 0.6963 NPC10286
Remote Similarity 0.6963 NPC474967
Remote Similarity 0.6963 NPC213
Remote Similarity 0.6963 NPC233669
Remote Similarity 0.6959 NPC471283
Remote Similarity 0.6957 NPC260837
Remote Similarity 0.6953 NPC13426
Remote Similarity 0.6947 NPC31274
Remote Similarity 0.6944 NPC94810
Remote Similarity 0.6944 NPC226855
Remote Similarity 0.6939 NPC109580
Remote Similarity 0.6934 NPC104514
Remote Similarity 0.6934 NPC275519
Remote Similarity 0.6929 NPC114298
Remote Similarity 0.6923 NPC19149
Remote Similarity 0.6923 NPC291847
Remote Similarity 0.6923 NPC477814
Remote Similarity 0.6923 NPC153990
Remote Similarity 0.6918 NPC25581
Remote Similarity 0.6918 NPC18074
Remote Similarity 0.6918 NPC61
Remote Similarity 0.6918 NPC5419
Remote Similarity 0.6917 NPC21890
Remote Similarity 0.6913 NPC197921
Remote Similarity 0.6912 NPC281277
Remote Similarity 0.6906 NPC470848
Remote Similarity 0.6906 NPC470849

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  215.06
ALogP  -1.5253
MLogP  1.79
XLogP  -2.152
HDA  3
HBD  4
Rotatable Bonds  8
TPSA  103.78
RO5 Violation  0