Drug Information

Drug ID:  NPD9638
Drug Name:  18F-NST-ML-10
Molecular Formula:  C9H15FO4
Canonical SMILES:  [18F]CCCCCC(C(=O)O)(C(=O)O)C
Standard InCHI:  InChI=1S/C9H15FO4/c1-9(7(11)12,8(13)14)5-3-2-4-6-10/h2-6H2,1H3,(H,11,12)(H,13,14)/i10-1
Standard InCHIKey:  BOYGOAXVKOOCKN-LMANFOLPSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9638

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
Intermediate Similarity 0.76 NPC55023
Intermediate Similarity 0.7451 NPC314679
Intermediate Similarity 0.7358 NPC476469
Intermediate Similarity 0.7308 NPC21844
Intermediate Similarity 0.717 NPC477878
Intermediate Similarity 0.717 NPC324793
Intermediate Similarity 0.7083 NPC268826
Intermediate Similarity 0.7021 NPC155263
Intermediate Similarity 0.7021 NPC134782
Intermediate Similarity 0.7 NPC248763
Intermediate Similarity 0.7 NPC475821
Intermediate Similarity 0.7 NPC325452
Remote Similarity 0.6984 NPC476330
Remote Similarity 0.6939 NPC113928
Remote Similarity 0.6939 NPC214610
Remote Similarity 0.6939 NPC14227
Remote Similarity 0.6939 NPC118968
Remote Similarity 0.6939 NPC183424
Remote Similarity 0.6939 NPC301585
Remote Similarity 0.6939 NPC294085
Remote Similarity 0.6939 NPC154186
Remote Similarity 0.6939 NPC301696
Remote Similarity 0.6939 NPC279026
Remote Similarity 0.6939 NPC261080
Remote Similarity 0.6939 NPC201844
Remote Similarity 0.6885 NPC469921
Remote Similarity 0.6875 NPC252843
Remote Similarity 0.6863 NPC289686
Remote Similarity 0.6852 NPC131770
Remote Similarity 0.6852 NPC200618
Remote Similarity 0.6842 NPC72722
Remote Similarity 0.6774 NPC469923
Remote Similarity 0.6721 NPC469924
Remote Similarity 0.6667 NPC171736
Remote Similarity 0.6667 NPC474552
Remote Similarity 0.6667 NPC307783
Remote Similarity 0.6667 NPC209970
Remote Similarity 0.6667 NPC149184
Remote Similarity 0.6667 NPC196924
Remote Similarity 0.6667 NPC216630
Remote Similarity 0.6607 NPC90904
Remote Similarity 0.66 NPC3531
Remote Similarity 0.6562 NPC314103
Remote Similarity 0.6538 NPC67462
Remote Similarity 0.6458 NPC156630
Remote Similarity 0.6452 NPC470363
Remote Similarity 0.6415 NPC74845
Remote Similarity 0.6415 NPC255837
Remote Similarity 0.6415 NPC19305
Remote Similarity 0.6383 NPC18224
Remote Similarity 0.6383 NPC328710
Remote Similarity 0.6383 NPC175342
Remote Similarity 0.6364 NPC249754
Remote Similarity 0.6364 NPC241949
Remote Similarity 0.6296 NPC8219
Remote Similarity 0.6275 NPC219536
Remote Similarity 0.6275 NPC31551
Remote Similarity 0.6269 NPC469925
Remote Similarity 0.6226 NPC310220
Remote Similarity 0.6212 NPC306805
Remote Similarity 0.6212 NPC215987
Remote Similarity 0.6212 NPC469791
Remote Similarity 0.6197 NPC477930
Remote Similarity 0.619 NPC472020
Remote Similarity 0.619 NPC472019
Remote Similarity 0.619 NPC226602
Remote Similarity 0.6182 NPC30195
Remote Similarity 0.6182 NPC12438
Remote Similarity 0.617 NPC328569
Remote Similarity 0.6119 NPC268736
Remote Similarity 0.6119 NPC477931
Remote Similarity 0.6111 NPC76051
Remote Similarity 0.6111 NPC179922
Remote Similarity 0.6111 NPC477934
Remote Similarity 0.6094 NPC472021
Remote Similarity 0.6094 NPC302188
Remote Similarity 0.6078 NPC73245
Remote Similarity 0.6078 NPC54980
Remote Similarity 0.6078 NPC326532
Remote Similarity 0.6078 NPC305660
Remote Similarity 0.6078 NPC201622
Remote Similarity 0.6078 NPC22903
Remote Similarity 0.6078 NPC325454
Remote Similarity 0.6071 NPC328497
Remote Similarity 0.6071 NPC324004
Remote Similarity 0.6038 NPC103286
Remote Similarity 0.6038 NPC163746
Remote Similarity 0.6038 NPC53541
Remote Similarity 0.6034 NPC305182
Remote Similarity 0.6027 NPC477933
Remote Similarity 0.6027 NPC477932
Remote Similarity 0.6 NPC469922
Remote Similarity 0.5972 NPC477867
Remote Similarity 0.5972 NPC317212
Remote Similarity 0.597 NPC19311
Remote Similarity 0.597 NPC230047
Remote Similarity 0.5965 NPC106872
Remote Similarity 0.5962 NPC80234
Remote Similarity 0.5946 NPC477918
Remote Similarity 0.5946 NPC469867
Remote Similarity 0.5942 NPC319007
Remote Similarity 0.5942 NPC290445
Remote Similarity 0.5942 NPC119838
Remote Similarity 0.5942 NPC36616
Remote Similarity 0.5942 NPC470956
Remote Similarity 0.5938 NPC17935
Remote Similarity 0.5932 NPC314084
Remote Similarity 0.5926 NPC129972
Remote Similarity 0.5926 NPC71317
Remote Similarity 0.5926 NPC301528
Remote Similarity 0.5918 NPC57499
Remote Similarity 0.5915 NPC474590
Remote Similarity 0.5902 NPC469937
Remote Similarity 0.5902 NPC23155
Remote Similarity 0.5902 NPC53463
Remote Similarity 0.5902 NPC320588
Remote Similarity 0.5893 NPC308301
Remote Similarity 0.5893 NPC166287
Remote Similarity 0.5893 NPC282440
Remote Similarity 0.589 NPC132064
Remote Similarity 0.5882 NPC109026
Remote Similarity 0.5882 NPC42060
Remote Similarity 0.5867 NPC470905
Remote Similarity 0.5867 NPC476986
Remote Similarity 0.5862 NPC304162
Remote Similarity 0.5849 NPC40597
Remote Similarity 0.5849 NPC12156
Remote Similarity 0.5849 NPC161097
Remote Similarity 0.5849 NPC250028
Remote Similarity 0.5849 NPC149299
Remote Similarity 0.5849 NPC256163
Remote Similarity 0.5849 NPC28598
Remote Similarity 0.5846 NPC472328
Remote Similarity 0.5821 NPC470325
Remote Similarity 0.5821 NPC53642
Remote Similarity 0.5821 NPC128608
Remote Similarity 0.5821 NPC234767
Remote Similarity 0.5818 NPC317128
Remote Similarity 0.58 NPC317203
Remote Similarity 0.5797 NPC474221
Remote Similarity 0.5797 NPC478180
Remote Similarity 0.5797 NPC41542
Remote Similarity 0.5797 NPC130459
Remote Similarity 0.5789 NPC246458
Remote Similarity 0.5789 NPC308545
Remote Similarity 0.5789 NPC82488
Remote Similarity 0.5769 NPC38930
Remote Similarity 0.5753 NPC125164
Remote Similarity 0.5745 NPC174368
Remote Similarity 0.5735 NPC469926
Remote Similarity 0.5733 NPC169389
Remote Similarity 0.5714 NPC31187
Remote Similarity 0.5714 NPC281203
Remote Similarity 0.5714 NPC469724
Remote Similarity 0.5714 NPC100917
Remote Similarity 0.5694 NPC469940
Remote Similarity 0.5694 NPC472309
Remote Similarity 0.5694 NPC470243
Remote Similarity 0.569 NPC180534
Remote Similarity 0.5676 NPC228411
Remote Similarity 0.5676 NPC60718
Remote Similarity 0.5672 NPC235788
Remote Similarity 0.5667 NPC470412
Remote Similarity 0.5667 NPC470410
Remote Similarity 0.5667 NPC100096
Remote Similarity 0.566 NPC81263
Remote Similarity 0.566 NPC141634
Remote Similarity 0.566 NPC223249
Remote Similarity 0.5652 NPC473899
Remote Similarity 0.5652 NPC315525
Remote Similarity 0.5652 NPC135043
Remote Similarity 0.5645 NPC87394
Remote Similarity 0.5645 NPC319589
Remote Similarity 0.5641 NPC172309
Remote Similarity 0.5641 NPC117960
Remote Similarity 0.5641 NPC14044
Remote Similarity 0.5636 NPC203531
Remote Similarity 0.5636 NPC236579
Remote Similarity 0.5634 NPC64466
Remote Similarity 0.5634 NPC476734
Remote Similarity 0.5634 NPC319671
Remote Similarity 0.5634 NPC252032
Remote Similarity 0.5634 NPC196197
Remote Similarity 0.5634 NPC67608
Remote Similarity 0.5634 NPC474962
Remote Similarity 0.5634 NPC469941
Remote Similarity 0.5625 NPC319279
Remote Similarity 0.5625 NPC241404
Remote Similarity 0.5616 NPC474755
Remote Similarity 0.5614 NPC133771
Remote Similarity 0.5606 NPC478126
Remote Similarity 0.56 NPC469514
Remote Similarity 0.56 NPC474020

Drug Structure

External Identifiers

TTD   DIB016267
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  206.10
ALogP  -0.5177
MLogP  1.9
XLogP  2.473
HDA  4
HBD  2
Rotatable Bonds  11
TPSA  74.6
RO5 Violation  0