Drug Information

Drug ID:  NPD787
Drug Name:  nebracetam
Molecular Formula:  C12H16N2O
Canonical SMILES:  NCC1CN(C(=O)C1)Cc1ccccc1
Standard InCHI:  InChI=1S/C12H16N2O/c13-7-11-6-12(15)14(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2
Standard InCHIKey:  LCAFGJGYCUMTGS-UHFFFAOYSA-N
Max Developmental Stage:  Suspended
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD787

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 0.7653 NPC17497
Intermediate Similarity 0.7653 NPC305602
Intermediate Similarity 0.7549 NPC474974
Intermediate Similarity 0.7526 NPC169016
Intermediate Similarity 0.7523 NPC55529
Intermediate Similarity 0.75 NPC472258
Intermediate Similarity 0.7451 NPC473661
Intermediate Similarity 0.7447 NPC12857
Intermediate Similarity 0.7419 NPC271642
Intermediate Similarity 0.7312 NPC98976
Intermediate Similarity 0.7308 NPC256452
Intermediate Similarity 0.7248 NPC275467
Intermediate Similarity 0.72 NPC258046
Intermediate Similarity 0.7182 NPC143516
Intermediate Similarity 0.7117 NPC474973
Intermediate Similarity 0.7117 NPC130898
Intermediate Similarity 0.7117 NPC474804
Intermediate Similarity 0.7087 NPC316104
Intermediate Similarity 0.7087 NPC162417
Intermediate Similarity 0.7071 NPC474088
Intermediate Similarity 0.7065 NPC219246
Intermediate Similarity 0.7053 NPC139658
Intermediate Similarity 0.7048 NPC71140
Intermediate Similarity 0.7027 NPC473418
Remote Similarity 0.6984 NPC126458
Remote Similarity 0.6981 NPC108339
Remote Similarity 0.6979 NPC325662
Remote Similarity 0.6979 NPC98269
Remote Similarity 0.6916 NPC471320
Remote Similarity 0.6916 NPC471319
Remote Similarity 0.6909 NPC329375
Remote Similarity 0.69 NPC104070
Remote Similarity 0.69 NPC119677
Remote Similarity 0.6887 NPC469330
Remote Similarity 0.6882 NPC229235
Remote Similarity 0.6869 NPC231986
Remote Similarity 0.6842 NPC473676
Remote Similarity 0.6822 NPC329430
Remote Similarity 0.6814 NPC471447
Remote Similarity 0.6814 NPC45033
Remote Similarity 0.6807 NPC315276
Remote Similarity 0.6807 NPC14672
Remote Similarity 0.6807 NPC285926
Remote Similarity 0.6803 NPC71684
Remote Similarity 0.6797 NPC473962
Remote Similarity 0.6729 NPC322040
Remote Similarity 0.6723 NPC101139
Remote Similarity 0.6721 NPC200964
Remote Similarity 0.672 NPC79698
Remote Similarity 0.6667 NPC322433
Remote Similarity 0.6667 NPC313673
Remote Similarity 0.6667 NPC181390
Remote Similarity 0.6667 NPC473498
Remote Similarity 0.6667 NPC113000
Remote Similarity 0.6667 NPC112609
Remote Similarity 0.6667 NPC122327
Remote Similarity 0.6667 NPC475013
Remote Similarity 0.6635 NPC53492
Remote Similarity 0.6598 NPC276699
Remote Similarity 0.6583 NPC473573
Remote Similarity 0.6579 NPC476198
Remote Similarity 0.6574 NPC246757
Remote Similarity 0.6574 NPC291070
Remote Similarity 0.656 NPC6975
Remote Similarity 0.6555 NPC35850
Remote Similarity 0.6555 NPC476048
Remote Similarity 0.6555 NPC276949
Remote Similarity 0.6542 NPC470926
Remote Similarity 0.6538 NPC207428
Remote Similarity 0.6532 NPC202521
Remote Similarity 0.6529 NPC470544
Remote Similarity 0.6529 NPC239357
Remote Similarity 0.6522 NPC327481
Remote Similarity 0.6508 NPC22746
Remote Similarity 0.65 NPC246904
Remote Similarity 0.65 NPC33742
Remote Similarity 0.6495 NPC299134
Remote Similarity 0.6486 NPC322598
Remote Similarity 0.6476 NPC473031
Remote Similarity 0.6475 NPC470545
Remote Similarity 0.6465 NPC290638
Remote Similarity 0.6452 NPC476990
Remote Similarity 0.6444 NPC130251
Remote Similarity 0.6439 NPC141050
Remote Similarity 0.6436 NPC475289
Remote Similarity 0.6436 NPC475573
Remote Similarity 0.6435 NPC67043
Remote Similarity 0.6429 NPC474082
Remote Similarity 0.6429 NPC175726
Remote Similarity 0.6429 NPC254698
Remote Similarity 0.6423 NPC470546
Remote Similarity 0.6422 NPC7067
Remote Similarity 0.6397 NPC468984
Remote Similarity 0.6397 NPC471164
Remote Similarity 0.6397 NPC301760
Remote Similarity 0.6396 NPC293628
Remote Similarity 0.6396 NPC122493
Remote Similarity 0.6396 NPC10781
Remote Similarity 0.6378 NPC222466
Remote Similarity 0.6355 NPC470877
Remote Similarity 0.6349 NPC252878
Remote Similarity 0.6343 NPC471123
Remote Similarity 0.6328 NPC101719
Remote Similarity 0.632 NPC316582
Remote Similarity 0.632 NPC27833
Remote Similarity 0.6316 NPC291610
Remote Similarity 0.6308 NPC473322
Remote Similarity 0.6299 NPC46427
Remote Similarity 0.6296 NPC209764
Remote Similarity 0.6296 NPC121872
Remote Similarity 0.6296 NPC78041
Remote Similarity 0.6296 NPC122553
Remote Similarity 0.6296 NPC74936
Remote Similarity 0.6296 NPC471307
Remote Similarity 0.6296 NPC141139
Remote Similarity 0.6296 NPC159178
Remote Similarity 0.6293 NPC474695
Remote Similarity 0.629 NPC228515
Remote Similarity 0.629 NPC220698
Remote Similarity 0.6288 NPC194857
Remote Similarity 0.6288 NPC32858
Remote Similarity 0.6283 NPC75496
Remote Similarity 0.6277 NPC22082
Remote Similarity 0.6277 NPC186284
Remote Similarity 0.6271 NPC164802
Remote Similarity 0.627 NPC314192
Remote Similarity 0.627 NPC475915
Remote Similarity 0.6261 NPC164859
Remote Similarity 0.6261 NPC471317
Remote Similarity 0.6261 NPC202613
Remote Similarity 0.626 NPC200589
Remote Similarity 0.626 NPC300315
Remote Similarity 0.626 NPC187231
Remote Similarity 0.6259 NPC309531
Remote Similarity 0.6259 NPC472102
Remote Similarity 0.625 NPC324569
Remote Similarity 0.625 NPC469560
Remote Similarity 0.625 NPC65408
Remote Similarity 0.623 NPC113099
Remote Similarity 0.6224 NPC244738
Remote Similarity 0.6212 NPC130309
Remote Similarity 0.6212 NPC255447
Remote Similarity 0.6207 NPC469974
Remote Similarity 0.6198 NPC474584
Remote Similarity 0.619 NPC133162
Remote Similarity 0.6187 NPC315266
Remote Similarity 0.6168 NPC471638
Remote Similarity 0.6167 NPC319579
Remote Similarity 0.6159 NPC77905
Remote Similarity 0.6154 NPC167336
Remote Similarity 0.6154 NPC473329
Remote Similarity 0.6126 NPC471309
Remote Similarity 0.6122 NPC222029
Remote Similarity 0.6119 NPC287401
Remote Similarity 0.6116 NPC269340
Remote Similarity 0.6116 NPC275410
Remote Similarity 0.6116 NPC329011
Remote Similarity 0.6103 NPC267508
Remote Similarity 0.6099 NPC313850
Remote Similarity 0.6099 NPC311658
Remote Similarity 0.6093 NPC214960
Remote Similarity 0.6093 NPC279527
Remote Similarity 0.6087 NPC315051
Remote Similarity 0.6087 NPC326792
Remote Similarity 0.6084 NPC109787
Remote Similarity 0.6083 NPC158854
Remote Similarity 0.6075 NPC203076
Remote Similarity 0.6071 NPC469537
Remote Similarity 0.6063 NPC302169
Remote Similarity 0.6061 NPC165726
Remote Similarity 0.6061 NPC111428
Remote Similarity 0.6061 NPC213969
Remote Similarity 0.6058 NPC132636
Remote Similarity 0.605 NPC20322
Remote Similarity 0.6045 NPC40364
Remote Similarity 0.604 NPC68650
Remote Similarity 0.6034 NPC327226
Remote Similarity 0.6034 NPC239854
Remote Similarity 0.6033 NPC313981
Remote Similarity 0.6029 NPC474811
Remote Similarity 0.6029 NPC49577
Remote Similarity 0.6029 NPC9687
Remote Similarity 0.6029 NPC151706
Remote Similarity 0.6029 NPC475318
Remote Similarity 0.6029 NPC474855
Remote Similarity 0.6029 NPC293377
Remote Similarity 0.6029 NPC118099
Remote Similarity 0.6029 NPC76785
Remote Similarity 0.6029 NPC476102
Remote Similarity 0.6029 NPC260045
Remote Similarity 0.6029 NPC79465
Remote Similarity 0.6029 NPC474787
Remote Similarity 0.6029 NPC90194
Remote Similarity 0.6029 NPC475598
Remote Similarity 0.6029 NPC273907
Remote Similarity 0.602 NPC95289
Remote Similarity 0.6019 NPC262295
Remote Similarity 0.6016 NPC57051
Remote Similarity 0.6 NPC2265
Remote Similarity 0.6 NPC52748

Drug Structure

External Identifiers

TTD   DIB004175
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  204.13
ALogP  -1.6212
MLogP  2.45
XLogP  1.836
HDA  3
HBD  1
Rotatable Bonds  4
TPSA  46.33
RO5 Violation  0