NPASS drugs

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.

Range	Similarity Score Range
0-0.1	47
0.1-0.2	11278
0.2-0.3	14971
0.3-0.4	3505
0.4-0.5	806
0.5-0.6	201
0.6-0.7	67
0.7-0.8	15
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

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