Drug Information

Drug ID:  NPD620
Drug Name:  Brivaracetam
Molecular Formula:  C11H20N2O2
Canonical SMILES:  CCC[C@H]1CN(C(=O)C1)[C@H](C(=N)O)CC
Standard InCHI:  InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1
Standard InCHIKey:  MSYKRHVOOPPJKU-BDAKNGLRSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD620

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 0.7808 NPC161774
Intermediate Similarity 0.7808 NPC256312
Intermediate Similarity 0.7808 NPC209156
Intermediate Similarity 0.7808 NPC266888
Intermediate Similarity 0.7534 NPC76297
Intermediate Similarity 0.7534 NPC214532
Intermediate Similarity 0.7534 NPC196007
Intermediate Similarity 0.7342 NPC23984
Intermediate Similarity 0.7308 NPC312315
Intermediate Similarity 0.7284 NPC472351
Intermediate Similarity 0.7237 NPC327272
Intermediate Similarity 0.7125 NPC470783
Intermediate Similarity 0.7037 NPC53858
Intermediate Similarity 0.7037 NPC84128
Intermediate Similarity 0.7 NPC314510
Remote Similarity 0.6951 NPC235078
Remote Similarity 0.6849 NPC84182
Remote Similarity 0.6849 NPC128005
Remote Similarity 0.6806 NPC57420
Remote Similarity 0.679 NPC476137
Remote Similarity 0.679 NPC476117
Remote Similarity 0.679 NPC476156
Remote Similarity 0.679 NPC476243
Remote Similarity 0.6707 NPC476302
Remote Similarity 0.6667 NPC31756
Remote Similarity 0.6625 NPC59867
Remote Similarity 0.662 NPC327170
Remote Similarity 0.662 NPC329564
Remote Similarity 0.6579 NPC322274
Remote Similarity 0.6522 NPC47076
Remote Similarity 0.6522 NPC134504
Remote Similarity 0.6479 NPC316826
Remote Similarity 0.6479 NPC327748
Remote Similarity 0.6479 NPC321468
Remote Similarity 0.6479 NPC317143
Remote Similarity 0.6447 NPC250953
Remote Similarity 0.6444 NPC471098
Remote Similarity 0.6444 NPC173763
Remote Similarity 0.6444 NPC62263
Remote Similarity 0.6438 NPC105297
Remote Similarity 0.6438 NPC243964
Remote Similarity 0.6429 NPC317147
Remote Similarity 0.6429 NPC318260
Remote Similarity 0.6418 NPC471131
Remote Similarity 0.6413 NPC117829
Remote Similarity 0.6404 NPC475801
Remote Similarity 0.6404 NPC474593
Remote Similarity 0.64 NPC287693
Remote Similarity 0.6364 NPC15864
Remote Similarity 0.6333 NPC474576
Remote Similarity 0.6327 NPC241394
Remote Similarity 0.6322 NPC477539
Remote Similarity 0.631 NPC475542
Remote Similarity 0.6267 NPC128559
Remote Similarity 0.625 NPC126186
Remote Similarity 0.625 NPC320221
Remote Similarity 0.625 NPC254541
Remote Similarity 0.6235 NPC6902
Remote Similarity 0.6224 NPC128303
Remote Similarity 0.6211 NPC220234
Remote Similarity 0.6203 NPC470781
Remote Similarity 0.6197 NPC278209
Remote Similarity 0.6129 NPC280066
Remote Similarity 0.6111 NPC322966
Remote Similarity 0.6111 NPC176164
Remote Similarity 0.6111 NPC275715
Remote Similarity 0.6111 NPC189301
Remote Similarity 0.6053 NPC262615
Remote Similarity 0.6047 NPC284456
Remote Similarity 0.6047 NPC184473
Remote Similarity 0.6029 NPC204607
Remote Similarity 0.6027 NPC320598
Remote Similarity 0.6026 NPC306696
Remote Similarity 0.6022 NPC301010
Remote Similarity 0.602 NPC301148
Remote Similarity 0.602 NPC124554
Remote Similarity 0.602 NPC5864
Remote Similarity 0.6 NPC324506
Remote Similarity 0.6 NPC473597
Remote Similarity 0.6 NPC473495
Remote Similarity 0.6 NPC316889
Remote Similarity 0.6 NPC321118
Remote Similarity 0.5978 NPC476019
Remote Similarity 0.5978 NPC477538
Remote Similarity 0.5942 NPC322946
Remote Similarity 0.5926 NPC315897
Remote Similarity 0.5914 NPC315237
Remote Similarity 0.5909 NPC124359
Remote Similarity 0.5904 NPC470782
Remote Similarity 0.59 NPC323720
Remote Similarity 0.59 NPC124549
Remote Similarity 0.5889 NPC322672
Remote Similarity 0.5882 NPC207820
Remote Similarity 0.5824 NPC473525
Remote Similarity 0.5811 NPC34838
Remote Similarity 0.5811 NPC292299
Remote Similarity 0.58 NPC198344
Remote Similarity 0.5778 NPC69374
Remote Similarity 0.5778 NPC90476
Remote Similarity 0.5778 NPC319913
Remote Similarity 0.5769 NPC470108
Remote Similarity 0.5765 NPC473741
Remote Similarity 0.5765 NPC191774
Remote Similarity 0.5765 NPC477145
Remote Similarity 0.5735 NPC87359
Remote Similarity 0.5735 NPC180402
Remote Similarity 0.5733 NPC263207
Remote Similarity 0.5732 NPC29326
Remote Similarity 0.5728 NPC67009
Remote Similarity 0.5728 NPC171734
Remote Similarity 0.5714 NPC475440
Remote Similarity 0.57 NPC475149
Remote Similarity 0.57 NPC471097
Remote Similarity 0.5696 NPC470109
Remote Similarity 0.5682 NPC246005
Remote Similarity 0.5676 NPC11433
Remote Similarity 0.5676 NPC245346
Remote Similarity 0.5676 NPC302003
Remote Similarity 0.5652 NPC80350
Remote Similarity 0.5652 NPC168017
Remote Similarity 0.5652 NPC304454
Remote Similarity 0.5652 NPC328378
Remote Similarity 0.5644 NPC476877
Remote Similarity 0.5625 NPC470110

Drug Structure

External Identifiers

TTD   DCL000730
DrugBank  
ChEMBL  
IUPHAR/BPS   9041
PharmaGKB  
KEGG Drug  
PubChem CID   9837243
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  212.15
ALogP  -1.351
MLogP  2.23
XLogP  1.937
HDA  4
HBD  2
Rotatable Bonds  8
TPSA  64.39
RO5 Violation  0