Drug Information

Drug ID:  NPD2504
Drug Name:  Flecainide Acetate
Molecular Formula:  C17H20F6N2O3.C2H4O2
Canonical SMILES:  OC(=NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F.CC(=O)O
Standard InCHI:  InChI=1S/C17H20F6N2O3.C2H4O2/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11;1-2(3)4/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26);1H3,(H,3,4)
Standard InCHIKey:  RKXNZRPQSOPPRN-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2504

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 0.7582 NPC477838
Intermediate Similarity 0.7582 NPC477837
Intermediate Similarity 0.7397 NPC328267
Intermediate Similarity 0.7351 NPC247018
Intermediate Similarity 0.7351 NPC97870
Intermediate Similarity 0.7351 NPC307123
Intermediate Similarity 0.7338 NPC318591
Intermediate Similarity 0.7338 NPC231163
Intermediate Similarity 0.7297 NPC141739
Intermediate Similarity 0.7297 NPC136112
Intermediate Similarity 0.7222 NPC283616
Intermediate Similarity 0.72 NPC477839
Intermediate Similarity 0.7172 NPC43275
Intermediate Similarity 0.7133 NPC301321
Intermediate Similarity 0.7126 NPC22014
Intermediate Similarity 0.7124 NPC471953
Intermediate Similarity 0.7123 NPC263835
Intermediate Similarity 0.7108 NPC29647
Intermediate Similarity 0.7103 NPC5932
Intermediate Similarity 0.7067 NPC320242
Intermediate Similarity 0.7042 NPC474920
Intermediate Similarity 0.7025 NPC189724
Intermediate Similarity 0.7025 NPC83289
Intermediate Similarity 0.7025 NPC212850
Intermediate Similarity 0.7013 NPC274732
Intermediate Similarity 0.7007 NPC160120
Intermediate Similarity 0.7007 NPC471308
Intermediate Similarity 0.7007 NPC53596
Intermediate Similarity 0.7007 NPC17388
Intermediate Similarity 0.7007 NPC289330
Intermediate Similarity 0.7 NPC241549
Remote Similarity 0.6993 NPC26524
Remote Similarity 0.698 NPC471315
Remote Similarity 0.698 NPC471314
Remote Similarity 0.6964 NPC79328
Remote Similarity 0.6959 NPC318357
Remote Similarity 0.6954 NPC29477
Remote Similarity 0.6939 NPC32152
Remote Similarity 0.6939 NPC256369
Remote Similarity 0.6928 NPC471321
Remote Similarity 0.6928 NPC471306
Remote Similarity 0.6919 NPC195392
Remote Similarity 0.6909 NPC47672
Remote Similarity 0.6897 NPC473718
Remote Similarity 0.6892 NPC474131
Remote Similarity 0.6892 NPC232295
Remote Similarity 0.6886 NPC2295
Remote Similarity 0.6886 NPC233926
Remote Similarity 0.6886 NPC477564
Remote Similarity 0.6871 NPC245974
Remote Similarity 0.6867 NPC474560
Remote Similarity 0.6853 NPC21890
Remote Similarity 0.6852 NPC247298
Remote Similarity 0.6849 NPC69539
Remote Similarity 0.6849 NPC290470
Remote Similarity 0.6849 NPC154256
Remote Similarity 0.6848 NPC207824
Remote Similarity 0.6848 NPC60538
Remote Similarity 0.6824 NPC51341
Remote Similarity 0.6821 NPC217277
Remote Similarity 0.6809 NPC233320
Remote Similarity 0.6803 NPC187993
Remote Similarity 0.6803 NPC238176
Remote Similarity 0.68 NPC211992
Remote Similarity 0.68 NPC476165
Remote Similarity 0.6797 NPC301713
Remote Similarity 0.6788 NPC470935
Remote Similarity 0.6788 NPC471032
Remote Similarity 0.6786 NPC156311
Remote Similarity 0.6776 NPC62101
Remote Similarity 0.6776 NPC95733
Remote Similarity 0.6774 NPC470706
Remote Similarity 0.6766 NPC76213
Remote Similarity 0.6766 NPC277669
Remote Similarity 0.6763 NPC209377
Remote Similarity 0.6761 NPC169450
Remote Similarity 0.6755 NPC188997
Remote Similarity 0.6755 NPC204535
Remote Similarity 0.6755 NPC46586
Remote Similarity 0.6755 NPC298486
Remote Similarity 0.6753 NPC186898
Remote Similarity 0.6753 NPC153990
Remote Similarity 0.6753 NPC251571
Remote Similarity 0.6748 NPC294249
Remote Similarity 0.6736 NPC166837
Remote Similarity 0.6733 NPC183262
Remote Similarity 0.6733 NPC473875
Remote Similarity 0.6731 NPC114102
Remote Similarity 0.6727 NPC115144
Remote Similarity 0.6727 NPC277857
Remote Similarity 0.6724 NPC223077
Remote Similarity 0.6724 NPC56887
Remote Similarity 0.6724 NPC193853
Remote Similarity 0.6714 NPC130817
Remote Similarity 0.6712 NPC470837
Remote Similarity 0.6711 NPC261992
Remote Similarity 0.6711 NPC471449
Remote Similarity 0.6711 NPC211218
Remote Similarity 0.6711 NPC474130
Remote Similarity 0.671 NPC40377
Remote Similarity 0.671 NPC155838
Remote Similarity 0.671 NPC271808
Remote Similarity 0.6707 NPC313414
Remote Similarity 0.6705 NPC293871
Remote Similarity 0.6705 NPC124433
Remote Similarity 0.6703 NPC476565
Remote Similarity 0.669 NPC186469
Remote Similarity 0.6689 NPC212965
Remote Similarity 0.6689 NPC137096
Remote Similarity 0.6688 NPC470392
Remote Similarity 0.6688 NPC322366
Remote Similarity 0.6688 NPC214869
Remote Similarity 0.6687 NPC76412
Remote Similarity 0.6687 NPC254610
Remote Similarity 0.6687 NPC253429
Remote Similarity 0.6687 NPC78530
Remote Similarity 0.6686 NPC475557
Remote Similarity 0.6686 NPC158900
Remote Similarity 0.6667 NPC52029
Remote Similarity 0.6667 NPC195749
Remote Similarity 0.6667 NPC190086
Remote Similarity 0.6667 NPC147896
Remote Similarity 0.6667 NPC204546
Remote Similarity 0.6667 NPC303370
Remote Similarity 0.6667 NPC95977
Remote Similarity 0.6667 NPC97326
Remote Similarity 0.6667 NPC276962
Remote Similarity 0.6667 NPC470471
Remote Similarity 0.6667 NPC35961
Remote Similarity 0.6667 NPC321133
Remote Similarity 0.6649 NPC223236
Remote Similarity 0.6649 NPC259350
Remote Similarity 0.6648 NPC283999
Remote Similarity 0.6647 NPC179250
Remote Similarity 0.6647 NPC50380
Remote Similarity 0.6645 NPC302211
Remote Similarity 0.6645 NPC120638
Remote Similarity 0.6643 NPC97811
Remote Similarity 0.6629 NPC232386
Remote Similarity 0.6629 NPC152680
Remote Similarity 0.6629 NPC190783
Remote Similarity 0.6627 NPC476151
Remote Similarity 0.6626 NPC106183
Remote Similarity 0.6623 NPC476254
Remote Similarity 0.6623 NPC131397
Remote Similarity 0.6623 NPC45663
Remote Similarity 0.6622 NPC258992
Remote Similarity 0.6621 NPC275627
Remote Similarity 0.6603 NPC469977
Remote Similarity 0.6601 NPC13020
Remote Similarity 0.6601 NPC140359
Remote Similarity 0.66 NPC137294
Remote Similarity 0.66 NPC85895
Remote Similarity 0.66 NPC283760
Remote Similarity 0.6597 NPC316052
Remote Similarity 0.6584 NPC470470
Remote Similarity 0.6584 NPC214988
Remote Similarity 0.6584 NPC193528
Remote Similarity 0.6584 NPC204848
Remote Similarity 0.6584 NPC41473
Remote Similarity 0.6584 NPC14600
Remote Similarity 0.6584 NPC312770
Remote Similarity 0.6584 NPC160607
Remote Similarity 0.6582 NPC130595
Remote Similarity 0.6582 NPC93882
Remote Similarity 0.6581 NPC476006
Remote Similarity 0.6579 NPC168707
Remote Similarity 0.6579 NPC48623
Remote Similarity 0.6578 NPC471563
Remote Similarity 0.6573 NPC475215
Remote Similarity 0.6573 NPC108434
Remote Similarity 0.657 NPC206736
Remote Similarity 0.657 NPC195766
Remote Similarity 0.6568 NPC256689
Remote Similarity 0.6568 NPC123011
Remote Similarity 0.6566 NPC473934
Remote Similarity 0.6564 NPC326241
Remote Similarity 0.6562 NPC264956
Remote Similarity 0.6562 NPC237227
Remote Similarity 0.6561 NPC262641
Remote Similarity 0.6558 NPC248557
Remote Similarity 0.6558 NPC61685
Remote Similarity 0.6556 NPC41801
Remote Similarity 0.6552 NPC254700
Remote Similarity 0.655 NPC150670
Remote Similarity 0.6548 NPC103379
Remote Similarity 0.6548 NPC477565
Remote Similarity 0.6543 NPC328137
Remote Similarity 0.6543 NPC299583
Remote Similarity 0.6543 NPC296898
Remote Similarity 0.6543 NPC231572
Remote Similarity 0.6543 NPC282087
Remote Similarity 0.6543 NPC318028
Remote Similarity 0.6543 NPC317741
Remote Similarity 0.6543 NPC241086
Remote Similarity 0.6543 NPC259800
Remote Similarity 0.6543 NPC318984
Remote Similarity 0.6541 NPC6854
Remote Similarity 0.6541 NPC105541
Remote Similarity 0.6541 NPC160692

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  414.14
ALogP  0.2938
MLogP  2.12
XLogP  4.718
HDA  3
HBD  2
Rotatable Bonds  16
TPSA  63.08
RO5 Violation  0