NPASS drugs

Drug Information

Drug ID:	NPD9425
Drug Name:	Levetiracetam
Molecular Formula:	C8H14N2O2
Canonical SMILES:	CC[C@H](N1CCCC1=O)C(=N)O
Standard InCHI:	InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1
Standard InCHIKey:	HPHUVLMMVZITSG-LURJTMIESA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	TTD; ChEMBL; IUPHAR/BPS

Structural Similarity Between NPASS Natural Products and NPD9425

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	231
0.1-0.2	21694
0.2-0.3	7063
0.3-0.4	1246
0.4-0.5	451
0.5-0.6	163
0.6-0.7	31
0.7-0.8	11
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	0.75	NPC84182
Intermediate Similarity	0.75	NPC128005
Intermediate Similarity	0.7206	NPC214532
Intermediate Similarity	0.7206	NPC196007
Intermediate Similarity	0.7206	NPC76297
Intermediate Similarity	0.7193	NPC204607
Intermediate Similarity	0.7031	NPC243964
Intermediate Similarity	0.7	NPC209156
Intermediate Similarity	0.7	NPC256312
Intermediate Similarity	0.7	NPC266888
Intermediate Similarity	0.7	NPC161774
Remote Similarity	0.6912	NPC322274
Remote Similarity	0.6761	NPC126186
Remote Similarity	0.6731	NPC234196
Remote Similarity	0.6716	NPC287693
Remote Similarity	0.6714	NPC470781
Remote Similarity	0.6712	NPC59867
Remote Similarity	0.6533	NPC312315
Remote Similarity	0.6438	NPC327272
Remote Similarity	0.6418	NPC57420
Remote Similarity	0.6364	NPC470783
Remote Similarity	0.6364	NPC475542
Remote Similarity	0.6364	NPC314510
Remote Similarity	0.6351	NPC470782
Remote Similarity	0.6324	NPC262615
Remote Similarity	0.6316	NPC31756
Remote Similarity	0.6301	NPC320221
Remote Similarity	0.6234	NPC476156
Remote Similarity	0.6234	NPC476117
Remote Similarity	0.6234	NPC476137
Remote Similarity	0.6234	NPC476243
Remote Similarity	0.6154	NPC476302
Remote Similarity	0.6154	NPC23984
Remote Similarity	0.6076	NPC84128
Remote Similarity	0.6076	NPC53858
Remote Similarity	0.6061	NPC292299
Remote Similarity	0.6061	NPC34838
Remote Similarity	0.6056	NPC250953
Remote Similarity	0.6032	NPC321118
Remote Similarity	0.6032	NPC316889
Remote Similarity	0.6029	NPC105297
Remote Similarity	0.6	NPC235078
Remote Similarity	0.597	NPC177191
Remote Similarity	0.597	NPC263207
Remote Similarity	0.5952	NPC275715
Remote Similarity	0.5946	NPC29326
Remote Similarity	0.5938	NPC322573
Remote Similarity	0.5932	NPC297220
Remote Similarity	0.5926	NPC472351
Remote Similarity	0.5909	NPC302003
Remote Similarity	0.5909	NPC245346
Remote Similarity	0.5909	NPC11433
Remote Similarity	0.5902	NPC328378
Remote Similarity	0.5857	NPC128559
Remote Similarity	0.5846	NPC38463
Remote Similarity	0.5833	NPC81647
Remote Similarity	0.5821	NPC316826
Remote Similarity	0.5821	NPC317143
Remote Similarity	0.5821	NPC254541
Remote Similarity	0.5821	NPC321468
Remote Similarity	0.5821	NPC327748
Remote Similarity	0.5783	NPC477539
Remote Similarity	0.5758	NPC317147
Remote Similarity	0.5758	NPC278209
Remote Similarity	0.5758	NPC318260
Remote Similarity	0.5738	NPC153370
Remote Similarity	0.5735	NPC329564
Remote Similarity	0.5735	NPC143722
Remote Similarity	0.5735	NPC327170
Remote Similarity	0.573	NPC117829
Remote Similarity	0.5698	NPC474593
Remote Similarity	0.5698	NPC475801
Remote Similarity	0.5692	NPC327831
Remote Similarity	0.5679	NPC184473
Remote Similarity	0.5679	NPC6902
Remote Similarity	0.5679	NPC246005
Remote Similarity	0.5672	NPC176164
Remote Similarity	0.5672	NPC189301
Remote Similarity	0.5632	NPC474576
Remote Similarity	0.5625	NPC197087
Remote Similarity	0.5625	NPC274499
Remote Similarity	0.5625	NPC8488
Remote Similarity	0.5625	NPC190184
Remote Similarity	0.5625	NPC333075
Remote Similarity	0.5616	NPC306696
Remote Similarity	0.5606	NPC325985

Drug Structure

External Identifiers

TTD	DAP001489; DAP000502
DrugBank	DB01202
ChEMBL	CHEMBL1286
IUPHAR/BPS	6826
PharmaGKB	PA450206
KEGG Drug	D00709
PubChem CID	5284583
ChEBI	6437
CAS Number	102767-28-2

Drug Properties

Molecular Weight	170.11
ALogP	-1.3518
MLogP	1.9
XLogP	0.502
HDA	4
HBD	2
Rotatable Bonds	5
TPSA	64.39
RO5 Violation	0