Drug Information

Drug ID:  NPD9019
Drug Name:  6-Aminocaproic Acid
Molecular Formula:  C6H13NO2
Canonical SMILES:  NCCCCCC(=O)O
Standard InCHI:  InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
Standard InCHIKey:  SLXKOJJOQWFEFD-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9019

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 NPC323974
High Similarity 0.8889 NPC112890
High Similarity 0.8889 NPC316231
High Similarity 0.8889 NPC324825
High Similarity 0.881 NPC276294
High Similarity 0.8696 NPC50457
Intermediate Similarity 0.8163 NPC279661
Intermediate Similarity 0.8163 NPC183845
Intermediate Similarity 0.8 NPC327698
Intermediate Similarity 0.8 NPC118459
Intermediate Similarity 0.7872 NPC140872
Intermediate Similarity 0.7872 NPC93081
Intermediate Similarity 0.7857 NPC18188
Intermediate Similarity 0.7692 NPC278209
Intermediate Similarity 0.766 NPC101249
Intermediate Similarity 0.7547 NPC176164
Intermediate Similarity 0.7547 NPC319279
Intermediate Similarity 0.7547 NPC189301
Intermediate Similarity 0.7407 NPC64250
Intermediate Similarity 0.7407 NPC254541
Intermediate Similarity 0.7407 NPC320598
Intermediate Similarity 0.7407 NPC276928
Intermediate Similarity 0.7407 NPC268927
Intermediate Similarity 0.74 NPC155512
Intermediate Similarity 0.7347 NPC84636
Intermediate Similarity 0.7347 NPC174246
Intermediate Similarity 0.7347 NPC43204
Intermediate Similarity 0.7347 NPC162620
Intermediate Similarity 0.7347 NPC62045
Intermediate Similarity 0.7347 NPC226027
Intermediate Similarity 0.7347 NPC245027
Intermediate Similarity 0.7273 NPC68974
Intermediate Similarity 0.72 NPC273330
Intermediate Similarity 0.72 NPC137958
Intermediate Similarity 0.7111 NPC121517
Intermediate Similarity 0.7111 NPC326992
Intermediate Similarity 0.7111 NPC168375
Intermediate Similarity 0.7111 NPC66043
Intermediate Similarity 0.7073 NPC18224
Intermediate Similarity 0.7073 NPC328710
Intermediate Similarity 0.7073 NPC175342
Remote Similarity 0.6923 NPC190184
Remote Similarity 0.6923 NPC197087
Remote Similarity 0.6875 NPC329263
Remote Similarity 0.6842 NPC302188
Remote Similarity 0.6809 NPC291186
Remote Similarity 0.6809 NPC167986
Remote Similarity 0.678 NPC278881
Remote Similarity 0.6744 NPC317203
Remote Similarity 0.6667 NPC132307
Remote Similarity 0.6667 NPC2801
Remote Similarity 0.6667 NPC325097
Remote Similarity 0.6667 NPC114517
Remote Similarity 0.6667 NPC126925
Remote Similarity 0.6607 NPC11433
Remote Similarity 0.6607 NPC302003
Remote Similarity 0.6607 NPC245346
Remote Similarity 0.6591 NPC155263
Remote Similarity 0.6591 NPC134782
Remote Similarity 0.6557 NPC222327
Remote Similarity 0.6557 NPC60424
Remote Similarity 0.6557 NPC188231
Remote Similarity 0.6557 NPC314221
Remote Similarity 0.6545 NPC38463
Remote Similarity 0.6545 NPC325985
Remote Similarity 0.6471 NPC327542
Remote Similarity 0.6452 NPC107224
Remote Similarity 0.6444 NPC109026
Remote Similarity 0.6444 NPC252843
Remote Similarity 0.64 NPC136476
Remote Similarity 0.64 NPC49952
Remote Similarity 0.6383 NPC53449
Remote Similarity 0.6349 NPC15864
Remote Similarity 0.6341 NPC174368
Remote Similarity 0.6316 NPC190385
Remote Similarity 0.6304 NPC73245
Remote Similarity 0.6304 NPC268826
Remote Similarity 0.6275 NPC136159
Remote Similarity 0.6271 NPC118429
Remote Similarity 0.6222 NPC272614
Remote Similarity 0.6222 NPC21290
Remote Similarity 0.6222 NPC116709
Remote Similarity 0.6207 NPC317143
Remote Similarity 0.6207 NPC321536
Remote Similarity 0.6207 NPC321468
Remote Similarity 0.6207 NPC316826
Remote Similarity 0.6207 NPC327748
Remote Similarity 0.62 NPC208793
Remote Similarity 0.62 NPC285322
Remote Similarity 0.617 NPC118968
Remote Similarity 0.617 NPC261080
Remote Similarity 0.617 NPC214610
Remote Similarity 0.617 NPC154186
Remote Similarity 0.617 NPC183424
Remote Similarity 0.617 NPC301696
Remote Similarity 0.617 NPC279026
Remote Similarity 0.617 NPC301585
Remote Similarity 0.617 NPC201844
Remote Similarity 0.617 NPC294085
Remote Similarity 0.617 NPC113928
Remote Similarity 0.617 NPC14227
Remote Similarity 0.6154 NPC153370
Remote Similarity 0.614 NPC317147
Remote Similarity 0.614 NPC318260
Remote Similarity 0.6111 NPC202525
Remote Similarity 0.6102 NPC329564
Remote Similarity 0.6102 NPC143722
Remote Similarity 0.6102 NPC327170
Remote Similarity 0.6087 NPC63621
Remote Similarity 0.6078 NPC309658
Remote Similarity 0.6071 NPC322573
Remote Similarity 0.6066 NPC103130
Remote Similarity 0.6066 NPC226453
Remote Similarity 0.6061 NPC315897
Remote Similarity 0.6061 NPC185084
Remote Similarity 0.6042 NPC326212
Remote Similarity 0.6042 NPC237525
Remote Similarity 0.6038 NPC193989
Remote Similarity 0.6038 NPC152451
Remote Similarity 0.6038 NPC270805
Remote Similarity 0.6038 NPC170739
Remote Similarity 0.6038 NPC93888
Remote Similarity 0.6 NPC198301
Remote Similarity 0.6 NPC245768
Remote Similarity 0.5926 NPC315977
Remote Similarity 0.5926 NPC125736
Remote Similarity 0.5918 NPC216630
Remote Similarity 0.5918 NPC196924
Remote Similarity 0.5918 NPC163746
Remote Similarity 0.5918 NPC248763
Remote Similarity 0.5918 NPC149184
Remote Similarity 0.5918 NPC171736
Remote Similarity 0.5918 NPC103286
Remote Similarity 0.5918 NPC209970
Remote Similarity 0.5918 NPC325452
Remote Similarity 0.5918 NPC307783
Remote Similarity 0.5909 NPC125575
Remote Similarity 0.5873 NPC327985
Remote Similarity 0.587 NPC9294
Remote Similarity 0.5818 NPC322946
Remote Similarity 0.5818 NPC155156
Remote Similarity 0.5818 NPC200550
Remote Similarity 0.5806 NPC57420
Remote Similarity 0.5806 NPC88898
Remote Similarity 0.5806 NPC315744
Remote Similarity 0.5806 NPC289691
Remote Similarity 0.5806 NPC106216
Remote Similarity 0.58 NPC71317
Remote Similarity 0.58 NPC301528
Remote Similarity 0.58 NPC289686
Remote Similarity 0.58 NPC129972
Remote Similarity 0.58 NPC67462
Remote Similarity 0.5781 NPC221764
Remote Similarity 0.5781 NPC196359
Remote Similarity 0.5781 NPC135539
Remote Similarity 0.5781 NPC78312
Remote Similarity 0.5778 NPC127142
Remote Similarity 0.5778 NPC57499
Remote Similarity 0.5778 NPC7814
Remote Similarity 0.5769 NPC297220
Remote Similarity 0.5769 NPC185755
Remote Similarity 0.5769 NPC213876
Remote Similarity 0.5745 NPC158179
Remote Similarity 0.5741 NPC328378
Remote Similarity 0.5714 NPC174304
Remote Similarity 0.5714 NPC50047
Remote Similarity 0.5714 NPC189178
Remote Similarity 0.5714 NPC126681
Remote Similarity 0.5714 NPC317815
Remote Similarity 0.5714 NPC263065
Remote Similarity 0.5714 NPC325597
Remote Similarity 0.5714 NPC472609
Remote Similarity 0.5686 NPC255837
Remote Similarity 0.5686 NPC74845
Remote Similarity 0.5686 NPC19305
Remote Similarity 0.566 NPC181588
Remote Similarity 0.566 NPC204364
Remote Similarity 0.5652 NPC289344
Remote Similarity 0.5652 NPC156630
Remote Similarity 0.5625 NPC325534
Remote Similarity 0.5625 NPC287693
Remote Similarity 0.5614 NPC321118
Remote Similarity 0.5614 NPC60672
Remote Similarity 0.5614 NPC322091
Remote Similarity 0.5614 NPC316889
Remote Similarity 0.561 NPC149209
Remote Similarity 0.5606 NPC133183
Remote Similarity 0.5606 NPC322274
Remote Similarity 0.56 NPC326808
Remote Similarity 0.56 NPC110533
Remote Similarity 0.56 NPC226265
Remote Similarity 0.56 NPC219143
Remote Similarity 0.56 NPC317691
Remote Similarity 0.56 NPC254482

Drug Structure

External Identifiers

TTD   DAP000200
DrugBank   DB00513
ChEMBL   CHEMBL1046
IUPHAR/BPS   6574
PharmaGKB   PA164774947
KEGG Drug   D00160
PubChem CID   564
ChEBI   57826
CAS Number  60-32-2

Drug Properties

Molecular Weight  131.09
ALogP  -1.8073
MLogP  1.79
XLogP  0.048
HDA  3
HBD  2
Rotatable Bonds  7
TPSA  63.32
RO5 Violation  0