Drug Information

Drug ID:  NPD2031
Drug Name:  cebaracetam
Molecular Formula:  C16H18ClN3O3
Canonical SMILES:  Clc1ccc(cc1)C1CC(=O)N(C1)CC(=O)N1CCN=C(C1)O
Standard InCHI:  InChI=1S/C16H18ClN3O3/c17-13-3-1-11(2-4-13)12-7-15(22)20(8-12)10-16(23)19-6-5-18-14(21)9-19/h1-4,12H,5-10H2,(H,18,21)
Standard InCHIKey:  QPKMIYNBZGPJAR-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2031

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 NPC285926
Intermediate Similarity 0.8 NPC315276
Intermediate Similarity 0.8 NPC14672
Intermediate Similarity 0.7615 NPC200964
Intermediate Similarity 0.7576 NPC474082
Intermediate Similarity 0.7576 NPC175726
Intermediate Similarity 0.7462 NPC220698
Intermediate Similarity 0.7426 NPC473322
Intermediate Similarity 0.7422 NPC33742
Intermediate Similarity 0.7252 NPC470545
Intermediate Similarity 0.7246 NPC200589
Intermediate Similarity 0.7206 NPC101719
Intermediate Similarity 0.72 NPC45033
Intermediate Similarity 0.7197 NPC470546
Intermediate Similarity 0.7194 NPC255447
Intermediate Similarity 0.7185 NPC6975
Intermediate Similarity 0.7176 NPC470544
Intermediate Similarity 0.7164 NPC71684
Intermediate Similarity 0.7132 NPC222466
Intermediate Similarity 0.712 NPC473418
Intermediate Similarity 0.709 NPC27833
Intermediate Similarity 0.7077 NPC35850
Intermediate Similarity 0.7077 NPC276949
Intermediate Similarity 0.7045 NPC239357
Intermediate Similarity 0.7037 NPC202521
Intermediate Similarity 0.7023 NPC471318
Remote Similarity 0.6986 NPC161069
Remote Similarity 0.6967 NPC472258
Remote Similarity 0.6963 NPC476990
Remote Similarity 0.695 NPC130309
Remote Similarity 0.6918 NPC263493
Remote Similarity 0.6918 NPC269398
Remote Similarity 0.6897 NPC98424
Remote Similarity 0.6897 NPC316906
Remote Similarity 0.6897 NPC313694
Remote Similarity 0.6897 NPC92784
Remote Similarity 0.6897 NPC476133
Remote Similarity 0.6897 NPC178662
Remote Similarity 0.6897 NPC242159
Remote Similarity 0.6897 NPC470884
Remote Similarity 0.6861 NPC252878
Remote Similarity 0.6846 NPC313981
Remote Similarity 0.6812 NPC46427
Remote Similarity 0.6809 NPC111428
Remote Similarity 0.6806 NPC248283
Remote Similarity 0.6803 NPC256452
Remote Similarity 0.68 NPC138775
Remote Similarity 0.6779 NPC209509
Remote Similarity 0.6779 NPC5620
Remote Similarity 0.6761 NPC300315
Remote Similarity 0.6746 NPC329375
Remote Similarity 0.6733 NPC262077
Remote Similarity 0.6719 NPC143516
Remote Similarity 0.6715 NPC302169
Remote Similarity 0.6711 NPC476978
Remote Similarity 0.6711 NPC52748
Remote Similarity 0.6689 NPC469427
Remote Similarity 0.6689 NPC469426
Remote Similarity 0.6667 NPC130898
Remote Similarity 0.6667 NPC474973
Remote Similarity 0.6667 NPC89489
Remote Similarity 0.6667 NPC132636
Remote Similarity 0.6667 NPC471680
Remote Similarity 0.6667 NPC474804
Remote Similarity 0.6643 NPC22746
Remote Similarity 0.6621 NPC287401
Remote Similarity 0.662 NPC319766
Remote Similarity 0.6601 NPC129666
Remote Similarity 0.6601 NPC2501
Remote Similarity 0.6599 NPC471265
Remote Similarity 0.6599 NPC471264
Remote Similarity 0.6589 NPC474559
Remote Similarity 0.6582 NPC104345
Remote Similarity 0.6581 NPC122590
Remote Similarity 0.6579 NPC225648
Remote Similarity 0.6579 NPC329761
Remote Similarity 0.6579 NPC16188
Remote Similarity 0.6573 NPC469666
Remote Similarity 0.6562 NPC471310
Remote Similarity 0.6538 NPC473498
Remote Similarity 0.6536 NPC471820
Remote Similarity 0.6536 NPC471821
Remote Similarity 0.6536 NPC240848
Remote Similarity 0.6533 NPC139326
Remote Similarity 0.6516 NPC233702
Remote Similarity 0.6512 NPC275467
Remote Similarity 0.6471 NPC145113
Remote Similarity 0.6463 NPC141050
Remote Similarity 0.6447 NPC316008
Remote Similarity 0.6447 NPC315266
Remote Similarity 0.6447 NPC313867
Remote Similarity 0.6439 NPC77294
Remote Similarity 0.6438 NPC325479
Remote Similarity 0.6433 NPC473002
Remote Similarity 0.6424 NPC197682
Remote Similarity 0.6419 NPC293377
Remote Similarity 0.6419 NPC476102
Remote Similarity 0.6419 NPC9687
Remote Similarity 0.6419 NPC76785
Remote Similarity 0.6419 NPC474855
Remote Similarity 0.6419 NPC118099
Remote Similarity 0.6419 NPC273907
Remote Similarity 0.6419 NPC475598
Remote Similarity 0.6419 NPC151706
Remote Similarity 0.6419 NPC49577
Remote Similarity 0.6419 NPC79465
Remote Similarity 0.6419 NPC260045
Remote Similarity 0.6419 NPC475318
Remote Similarity 0.6419 NPC474787
Remote Similarity 0.6419 NPC474811
Remote Similarity 0.6419 NPC90194
Remote Similarity 0.6412 NPC274089
Remote Similarity 0.6412 NPC471447
Remote Similarity 0.6412 NPC191215
Remote Similarity 0.641 NPC162104
Remote Similarity 0.6405 NPC314358
Remote Similarity 0.64 NPC268841
Remote Similarity 0.64 NPC46098
Remote Similarity 0.64 NPC307357
Remote Similarity 0.64 NPC239762
Remote Similarity 0.64 NPC163392
Remote Similarity 0.6397 NPC113099
Remote Similarity 0.6392 NPC469903
Remote Similarity 0.6387 NPC283783
Remote Similarity 0.6382 NPC315283
Remote Similarity 0.6382 NPC314388
Remote Similarity 0.6378 NPC322598
Remote Similarity 0.6376 NPC127741
Remote Similarity 0.6376 NPC68865
Remote Similarity 0.6369 NPC202198
Remote Similarity 0.6364 NPC55529
Remote Similarity 0.6364 NPC135121
Remote Similarity 0.6358 NPC168113
Remote Similarity 0.635 NPC473573
Remote Similarity 0.6343 NPC319579
Remote Similarity 0.634 NPC201244
Remote Similarity 0.634 NPC322878
Remote Similarity 0.634 NPC477217
Remote Similarity 0.6328 NPC12730
Remote Similarity 0.632 NPC71140
Remote Similarity 0.6316 NPC77905
Remote Similarity 0.6316 NPC468984
Remote Similarity 0.6316 NPC473676
Remote Similarity 0.6312 NPC297145
Remote Similarity 0.6312 NPC197743
Remote Similarity 0.6308 NPC164859
Remote Similarity 0.6296 NPC475013
Remote Similarity 0.6291 NPC476259
Remote Similarity 0.627 NPC303045
Remote Similarity 0.627 NPC161972
Remote Similarity 0.6267 NPC325599
Remote Similarity 0.625 NPC474584
Remote Similarity 0.625 NPC476989
Remote Similarity 0.6235 NPC473003
Remote Similarity 0.6235 NPC469902
Remote Similarity 0.6218 NPC9373
Remote Similarity 0.6218 NPC105717
Remote Similarity 0.6209 NPC176226
Remote Similarity 0.6207 NPC477937
Remote Similarity 0.6204 NPC476048
Remote Similarity 0.6196 NPC68650
Remote Similarity 0.6183 NPC471317
Remote Similarity 0.6179 NPC12429
Remote Similarity 0.6172 NPC311242
Remote Similarity 0.6165 NPC327481
Remote Similarity 0.6164 NPC239990
Remote Similarity 0.6164 NPC152850
Remote Similarity 0.6164 NPC105114
Remote Similarity 0.6164 NPC89923
Remote Similarity 0.6164 NPC71933
Remote Similarity 0.6164 NPC5194
Remote Similarity 0.6164 NPC262166
Remote Similarity 0.6164 NPC261934
Remote Similarity 0.616 NPC226438
Remote Similarity 0.6154 NPC311658
Remote Similarity 0.6139 NPC324081
Remote Similarity 0.6135 NPC469901
Remote Similarity 0.6133 NPC313352
Remote Similarity 0.6107 NPC246079
Remote Similarity 0.6107 NPC473962
Remote Similarity 0.6107 NPC257390
Remote Similarity 0.6099 NPC310467
Remote Similarity 0.6098 NPC241794
Remote Similarity 0.6098 NPC17497
Remote Similarity 0.6098 NPC73655
Remote Similarity 0.6098 NPC305602
Remote Similarity 0.6096 NPC136453
Remote Similarity 0.609 NPC67043
Remote Similarity 0.6081 NPC179224
Remote Similarity 0.6074 NPC319320
Remote Similarity 0.6074 NPC287757
Remote Similarity 0.6063 NPC474974
Remote Similarity 0.6062 NPC286551
Remote Similarity 0.6062 NPC56685
Remote Similarity 0.6062 NPC473341
Remote Similarity 0.6058 NPC329011
Remote Similarity 0.6053 NPC109580
Remote Similarity 0.6048 NPC141957
Remote Similarity 0.6042 NPC169485
Remote Similarity 0.6042 NPC317474

Drug Structure

External Identifiers

TTD   DIB003855
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  335.10
ALogP  -1.4712
MLogP  2.45
XLogP  0.769
HDA  6
HBD  1
Rotatable Bonds  6
TPSA  73.21
RO5 Violation  0