Drug Information

Drug ID:  NPD8947
Drug Name:  Fluciclovine F18
Molecular Formula:  C6H10FNO2
Canonical SMILES:  OC(=O)[C@]1(N)C[C@](C1)(C)[18F]
Standard InCHI:  InChI=1S/C6H10FNO2/c1-5(7)2-6(8,3-5)4(9)10/h2-3,8H2,1H3,(H,9,10)/t5-,6-/i7-1
Standard InCHIKey:  ILMJJAKSEOUEPX-DZQYMRDVSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8947

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 0.8 NPC245027
Intermediate Similarity 0.8 NPC62045
Intermediate Similarity 0.8 NPC162620
Intermediate Similarity 0.7692 NPC155512
Intermediate Similarity 0.7647 NPC43204
Intermediate Similarity 0.7647 NPC84636
Intermediate Similarity 0.7647 NPC226027
Intermediate Similarity 0.7647 NPC174246
Intermediate Similarity 0.7551 NPC118459
Intermediate Similarity 0.7551 NPC327698
Intermediate Similarity 0.7333 NPC9294
Intermediate Similarity 0.7 NPC132307
Intermediate Similarity 0.7 NPC325097
Intermediate Similarity 0.7 NPC126925
Remote Similarity 0.6792 NPC93081
Remote Similarity 0.6792 NPC140872
Remote Similarity 0.678 NPC327748
Remote Similarity 0.678 NPC321468
Remote Similarity 0.6735 NPC168375
Remote Similarity 0.6735 NPC121517
Remote Similarity 0.6735 NPC326992
Remote Similarity 0.6727 NPC322946
Remote Similarity 0.6724 NPC317147
Remote Similarity 0.6667 NPC329564
Remote Similarity 0.6667 NPC324825
Remote Similarity 0.6667 NPC112890
Remote Similarity 0.6667 NPC327170
Remote Similarity 0.6667 NPC316231
Remote Similarity 0.661 NPC190385
Remote Similarity 0.6545 NPC273330
Remote Similarity 0.6545 NPC137958
Remote Similarity 0.65 NPC317143
Remote Similarity 0.65 NPC316826
Remote Similarity 0.6471 NPC167986
Remote Similarity 0.6471 NPC276294
Remote Similarity 0.6471 NPC291186
Remote Similarity 0.6441 NPC318260
Remote Similarity 0.6379 NPC2801
Remote Similarity 0.6346 NPC323974
Remote Similarity 0.6316 NPC197087
Remote Similarity 0.6316 NPC190184
Remote Similarity 0.6271 NPC38463
Remote Similarity 0.6226 NPC329263
Remote Similarity 0.6207 NPC183845
Remote Similarity 0.6207 NPC279661
Remote Similarity 0.6167 NPC278209
Remote Similarity 0.6154 NPC107645
Remote Similarity 0.6122 NPC252843
Remote Similarity 0.6102 NPC322573
Remote Similarity 0.6078 NPC53449
Remote Similarity 0.6078 NPC66043
Remote Similarity 0.6071 NPC328378
Remote Similarity 0.6066 NPC176164
Remote Similarity 0.6066 NPC189301
Remote Similarity 0.6 NPC325454
Remote Similarity 0.6 NPC174368
Remote Similarity 0.6 NPC38930
Remote Similarity 0.6 NPC101249
Remote Similarity 0.6 NPC18188
Remote Similarity 0.6 NPC325985
Remote Similarity 0.5968 NPC254541
Remote Similarity 0.5932 NPC316889
Remote Similarity 0.5932 NPC321118
Remote Similarity 0.5918 NPC272614
Remote Similarity 0.5918 NPC116709
Remote Similarity 0.5918 NPC21290
Remote Similarity 0.5882 NPC3531
Remote Similarity 0.5821 NPC188231
Remote Similarity 0.5821 NPC222327
Remote Similarity 0.5818 NPC136476
Remote Similarity 0.5818 NPC49952
Remote Similarity 0.5806 NPC302003
Remote Similarity 0.5806 NPC319279
Remote Similarity 0.5806 NPC245346
Remote Similarity 0.5806 NPC11433
Remote Similarity 0.5789 NPC170739
Remote Similarity 0.5789 NPC93888
Remote Similarity 0.5789 NPC152451
Remote Similarity 0.5789 NPC193989
Remote Similarity 0.5789 NPC270805
Remote Similarity 0.5763 NPC189178
Remote Similarity 0.5763 NPC263065
Remote Similarity 0.5745 NPC280532
Remote Similarity 0.5741 NPC198301
Remote Similarity 0.5714 NPC276928
Remote Similarity 0.5714 NPC136159
Remote Similarity 0.5714 NPC64250
Remote Similarity 0.5714 NPC320598
Remote Similarity 0.5714 NPC321536
Remote Similarity 0.5714 NPC268927
Remote Similarity 0.569 NPC315977
Remote Similarity 0.569 NPC50457
Remote Similarity 0.566 NPC325452
Remote Similarity 0.566 NPC248763
Remote Similarity 0.5652 NPC15864
Remote Similarity 0.5652 NPC122768
Remote Similarity 0.5652 NPC61066
Remote Similarity 0.5652 NPC151140
Remote Similarity 0.5652 NPC104195
Remote Similarity 0.5636 NPC285322
Remote Similarity 0.5636 NPC208793
Remote Similarity 0.5625 NPC175342
Remote Similarity 0.5625 NPC143722
Remote Similarity 0.5625 NPC68974
Remote Similarity 0.5614 NPC153370

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  147.07
ALogP  -0.5155
MLogP  1.68
XLogP  -2.157
HDA  3
HBD  2
Rotatable Bonds  5
TPSA  63.32
RO5 Violation  0