Drug Information

Drug ID:  NPD743
Drug Name:  aniracetam
Molecular Formula:  C12H13NO3
Canonical SMILES:  COc1ccc(cc1)C(=O)N1CCCC1=O
Standard InCHI:  InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3
Standard InCHIKey:  ZXNRTKGTQJPIJK-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD743

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 0.8881 NPC266425
Intermediate Similarity 0.8378 NPC470708
Intermediate Similarity 0.8243 NPC119669
Intermediate Similarity 0.7871 NPC135006
Intermediate Similarity 0.78 NPC214239
Intermediate Similarity 0.777 NPC218323
Intermediate Similarity 0.7724 NPC238412
Intermediate Similarity 0.7692 NPC183648
Intermediate Similarity 0.7692 NPC132308
Intermediate Similarity 0.7634 NPC57879
Intermediate Similarity 0.7634 NPC23332
Intermediate Similarity 0.7632 NPC470088
Intermediate Similarity 0.7586 NPC196708
Intermediate Similarity 0.7576 NPC99723
Intermediate Similarity 0.7551 NPC160747
Intermediate Similarity 0.7534 NPC307682
Intermediate Similarity 0.7534 NPC106606
Intermediate Similarity 0.7516 NPC469539
Intermediate Similarity 0.7516 NPC469540
Intermediate Similarity 0.75 NPC217574
Intermediate Similarity 0.7484 NPC153631
Intermediate Similarity 0.7483 NPC194359
Intermediate Similarity 0.7483 NPC469978
Intermediate Similarity 0.7483 NPC28641
Intermediate Similarity 0.7463 NPC252004
Intermediate Similarity 0.7436 NPC471649
Intermediate Similarity 0.7407 NPC160179
Intermediate Similarity 0.7407 NPC220540
Intermediate Similarity 0.74 NPC908
Intermediate Similarity 0.74 NPC138438
Intermediate Similarity 0.7397 NPC328419
Intermediate Similarity 0.7397 NPC193673
Intermediate Similarity 0.7397 NPC45783
Intermediate Similarity 0.7397 NPC94280
Intermediate Similarity 0.7397 NPC103947
Intermediate Similarity 0.7397 NPC167096
Intermediate Similarity 0.7397 NPC159150
Intermediate Similarity 0.7378 NPC303581
Intermediate Similarity 0.7378 NPC67978
Intermediate Similarity 0.7375 NPC299582
Intermediate Similarity 0.7365 NPC470707
Intermediate Similarity 0.7365 NPC225745
Intermediate Similarity 0.7362 NPC86469
Intermediate Similarity 0.7347 NPC230698
Intermediate Similarity 0.7347 NPC251454
Intermediate Similarity 0.7347 NPC180647
Intermediate Similarity 0.7347 NPC205178
Intermediate Similarity 0.7347 NPC277042
Intermediate Similarity 0.7347 NPC73883
Intermediate Similarity 0.7347 NPC136330
Intermediate Similarity 0.7347 NPC96406
Intermediate Similarity 0.7347 NPC255817
Intermediate Similarity 0.7347 NPC196609
Intermediate Similarity 0.7346 NPC206941
Intermediate Similarity 0.7305 NPC270301
Intermediate Similarity 0.7299 NPC469954
Intermediate Similarity 0.7297 NPC145446
Intermediate Similarity 0.7297 NPC99078
Intermediate Similarity 0.7297 NPC137172
Intermediate Similarity 0.7292 NPC283079
Intermediate Similarity 0.7289 NPC308267
Intermediate Similarity 0.7278 NPC169742
Intermediate Similarity 0.726 NPC318862
Intermediate Similarity 0.7255 NPC471646
Intermediate Similarity 0.7255 NPC471647
Intermediate Similarity 0.7248 NPC252107
Intermediate Similarity 0.7248 NPC95366
Intermediate Similarity 0.7248 NPC220923
Intermediate Similarity 0.7248 NPC471316
Intermediate Similarity 0.7248 NPC248505
Intermediate Similarity 0.7241 NPC120251
Intermediate Similarity 0.7226 NPC470860
Intermediate Similarity 0.7222 NPC172403
Intermediate Similarity 0.7211 NPC169766
Intermediate Similarity 0.7194 NPC61779
Intermediate Similarity 0.7183 NPC11799
Intermediate Similarity 0.7183 NPC141252
Intermediate Similarity 0.7163 NPC268348
Intermediate Similarity 0.7162 NPC473360
Intermediate Similarity 0.7153 NPC305717
Intermediate Similarity 0.7152 NPC73280
Intermediate Similarity 0.7143 NPC222524
Intermediate Similarity 0.7135 NPC116007
Intermediate Similarity 0.7111 NPC54626
Intermediate Similarity 0.7101 NPC121400
Intermediate Similarity 0.7101 NPC197335
Intermediate Similarity 0.7099 NPC38209
Intermediate Similarity 0.7097 NPC290404
Intermediate Similarity 0.7092 NPC225245
Intermediate Similarity 0.7092 NPC295317
Intermediate Similarity 0.7086 NPC254957
Intermediate Similarity 0.7086 NPC231572
Intermediate Similarity 0.7083 NPC124776
Intermediate Similarity 0.7083 NPC470858
Intermediate Similarity 0.7073 NPC471651
Intermediate Similarity 0.7068 NPC55529
Intermediate Similarity 0.7059 NPC314659
Intermediate Similarity 0.7052 NPC471650
Intermediate Similarity 0.7052 NPC169387
Intermediate Similarity 0.7052 NPC477259
Intermediate Similarity 0.7042 NPC26285
Intermediate Similarity 0.7035 NPC83511
Intermediate Similarity 0.7032 NPC189908
Intermediate Similarity 0.7032 NPC9373
Intermediate Similarity 0.7023 NPC298224
Intermediate Similarity 0.7022 NPC71124
Intermediate Similarity 0.702 NPC216149
Intermediate Similarity 0.702 NPC214036
Intermediate Similarity 0.702 NPC113236
Intermediate Similarity 0.702 NPC208170
Intermediate Similarity 0.7007 NPC160193
Intermediate Similarity 0.7007 NPC53953
Intermediate Similarity 0.7 NPC28368
Remote Similarity 0.6994 NPC26353
Remote Similarity 0.6993 NPC291189
Remote Similarity 0.6993 NPC69403
Remote Similarity 0.6992 NPC1065
Remote Similarity 0.6988 NPC284842
Remote Similarity 0.6986 NPC286683
Remote Similarity 0.6982 NPC20395
Remote Similarity 0.6977 NPC175298
Remote Similarity 0.6977 NPC235194
Remote Similarity 0.697 NPC35345
Remote Similarity 0.6968 NPC125852
Remote Similarity 0.6968 NPC244338
Remote Similarity 0.6954 NPC416184
Remote Similarity 0.6954 NPC7018
Remote Similarity 0.6954 NPC469808
Remote Similarity 0.6944 NPC474691
Remote Similarity 0.6944 NPC217277
Remote Similarity 0.6943 NPC324081
Remote Similarity 0.6941 NPC35680
Remote Similarity 0.6941 NPC5167
Remote Similarity 0.6923 NPC207971
Remote Similarity 0.6923 NPC41216
Remote Similarity 0.6917 NPC42383
Remote Similarity 0.6914 NPC476443
Remote Similarity 0.6914 NPC133817
Remote Similarity 0.6914 NPC301163
Remote Similarity 0.6906 NPC188907
Remote Similarity 0.6899 NPC153644
Remote Similarity 0.6897 NPC255073
Remote Similarity 0.6897 NPC221798
Remote Similarity 0.6897 NPC171372
Remote Similarity 0.6892 NPC170546
Remote Similarity 0.6892 NPC939
Remote Similarity 0.6892 NPC66246
Remote Similarity 0.6889 NPC5374
Remote Similarity 0.6887 NPC11147
Remote Similarity 0.6887 NPC109580
Remote Similarity 0.6885 NPC163829
Remote Similarity 0.6879 NPC473007
Remote Similarity 0.6879 NPC102760
Remote Similarity 0.6879 NPC296085
Remote Similarity 0.6871 NPC93653
Remote Similarity 0.687 NPC13755
Remote Similarity 0.6867 NPC66490
Remote Similarity 0.6867 NPC231198
Remote Similarity 0.686 NPC27887
Remote Similarity 0.6857 NPC131192
Remote Similarity 0.6849 NPC65041
Remote Similarity 0.6849 NPC165556
Remote Similarity 0.6849 NPC473626
Remote Similarity 0.6849 NPC120066
Remote Similarity 0.6848 NPC469479
Remote Similarity 0.6846 NPC282230
Remote Similarity 0.6846 NPC183348
Remote Similarity 0.6842 NPC313694
Remote Similarity 0.6842 NPC242159
Remote Similarity 0.6839 NPC308197
Remote Similarity 0.6839 NPC87391
Remote Similarity 0.6838 NPC234639
Remote Similarity 0.6835 NPC223873
Remote Similarity 0.6833 NPC100863
Remote Similarity 0.6832 NPC58661
Remote Similarity 0.6821 NPC29650
Remote Similarity 0.6818 NPC208890
Remote Similarity 0.6818 NPC251439
Remote Similarity 0.6818 NPC45389
Remote Similarity 0.6816 NPC477258
Remote Similarity 0.6813 NPC223125
Remote Similarity 0.6809 NPC240664
Remote Similarity 0.6809 NPC45104
Remote Similarity 0.6809 NPC217423
Remote Similarity 0.6807 NPC476569
Remote Similarity 0.6803 NPC154275
Remote Similarity 0.6803 NPC177925
Remote Similarity 0.6803 NPC475236
Remote Similarity 0.6802 NPC327005
Remote Similarity 0.68 NPC196979
Remote Similarity 0.68 NPC15083
Remote Similarity 0.68 NPC470976
Remote Similarity 0.68 NPC470977
Remote Similarity 0.68 NPC118419
Remote Similarity 0.6793 NPC268077
Remote Similarity 0.6792 NPC470019
Remote Similarity 0.6786 NPC471648
Remote Similarity 0.6783 NPC321133
Remote Similarity 0.6781 NPC30216
Remote Similarity 0.6778 NPC24228

Drug Structure

External Identifiers

TTD   DNC002665
DrugBank  
ChEMBL  
IUPHAR/BPS   4133
PharmaGKB  
KEGG Drug  
PubChem CID   2196
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  219.09
ALogP  -1.0517
MLogP  2.34
XLogP  1.369
HDA  3
HBD  0
Rotatable Bonds  4
TPSA  46.61
RO5 Violation  0