NPASS drugs

Drug Information

Drug ID:	NPD1344
Drug Name:	Nefiracetam
Molecular Formula:	C14H18N2O2
Canonical SMILES:	OC(=Nc1c(C)cccc1C)CN1CCCC1=O
Standard InCHI:	InChI=1S/C14H18N2O2/c1-10-5-3-6-11(2)14(10)15-12(17)9-16-8-4-7-13(16)18/h3,5-6H,4,7-9H2,1-2H3,(H,15,17)
Standard InCHIKey:	NGHTXZCKLWZPGK-UHFFFAOYSA-N
Max Developmental Stage:	Phase 2
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD1344

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	83
0.1-0.2	1483
0.2-0.3	9113
0.3-0.4	13164
0.4-0.5	4821
0.5-0.6	1801
0.6-0.7	391
0.7-0.8	34
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	0.7612	NPC122553
Intermediate Similarity	0.76	NPC316582
Intermediate Similarity	0.7455	NPC78154
Intermediate Similarity	0.7368	NPC472258
Intermediate Similarity	0.7302	NPC228515
Intermediate Similarity	0.728	NPC14672
Intermediate Similarity	0.728	NPC315276
Intermediate Similarity	0.728	NPC285926
Intermediate Similarity	0.7239	NPC207428
Intermediate Similarity	0.7227	NPC143516
Intermediate Similarity	0.7211	NPC104345
Intermediate Similarity	0.7188	NPC200964
Intermediate Similarity	0.7183	NPC324445
Intermediate Similarity	0.7177	NPC35850
Intermediate Similarity	0.7177	NPC276949
Intermediate Similarity	0.7167	NPC474804
Intermediate Similarity	0.7167	NPC474973
Intermediate Similarity	0.7167	NPC130898
Intermediate Similarity	0.7154	NPC283130
Intermediate Similarity	0.7154	NPC328683
Intermediate Similarity	0.712	NPC33742
Intermediate Similarity	0.7119	NPC329375
Intermediate Similarity	0.709	NPC187231
Intermediate Similarity	0.7049	NPC164802
Intermediate Similarity	0.7031	NPC220698
Intermediate Similarity	0.7025	NPC471447
Intermediate Similarity	0.7025	NPC45033
Intermediate Similarity	0.7023	NPC6975
Intermediate Similarity	0.7014	NPC254798
Intermediate Similarity	0.7008	NPC470544
Intermediate Similarity	0.7008	NPC239357
Intermediate Similarity	0.7	NPC202521
Intermediate Similarity	0.7	NPC315051
Intermediate Similarity	0.7	NPC68650
Remote Similarity	0.6953	NPC470545
Remote Similarity	0.695	NPC470301
Remote Similarity	0.6929	NPC469560
Remote Similarity	0.6923	NPC476990
Remote Similarity	0.6911	NPC473676
Remote Similarity	0.6899	NPC470546
Remote Similarity	0.6894	NPC474082
Remote Similarity	0.6894	NPC175726
Remote Similarity	0.6884	NPC316104
Remote Similarity	0.6884	NPC162417
Remote Similarity	0.688	NPC475013
Remote Similarity	0.6866	NPC322433
Remote Similarity	0.686	NPC275467
Remote Similarity	0.6831	NPC186284
Remote Similarity	0.6831	NPC22082
Remote Similarity	0.6818	NPC252878
Remote Similarity	0.6815	NPC476950
Remote Similarity	0.681	NPC474974
Remote Similarity	0.6786	NPC471123
Remote Similarity	0.6772	NPC476048
Remote Similarity	0.6769	NPC264580
Remote Similarity	0.6767	NPC46427
Remote Similarity	0.6765	NPC473322
Remote Similarity	0.6765	NPC150863
Remote Similarity	0.6742	NPC71684
Remote Similarity	0.6739	NPC40364
Remote Similarity	0.6715	NPC200589
Remote Similarity	0.6715	NPC300315
Remote Similarity	0.6694	NPC55529
Remote Similarity	0.6691	NPC478079
Remote Similarity	0.669	NPC83214
Remote Similarity	0.6689	NPC84317
Remote Similarity	0.6688	NPC355
Remote Similarity	0.6667	NPC474926
Remote Similarity	0.6667	NPC267508
Remote Similarity	0.6667	NPC238499
Remote Similarity	0.6667	NPC101719
Remote Similarity	0.6667	NPC255447
Remote Similarity	0.6667	NPC75496
Remote Similarity	0.6667	NPC27833
Remote Similarity	0.6667	NPC130309
Remote Similarity	0.6643	NPC243162
Remote Similarity	0.6643	NPC130251
Remote Similarity	0.6639	NPC178681
Remote Similarity	0.6636	NPC307456
Remote Similarity	0.6623	NPC476231
Remote Similarity	0.6615	NPC313673
Remote Similarity	0.6601	NPC154478
Remote Similarity	0.6599	NPC470440
Remote Similarity	0.6597	NPC468984
Remote Similarity	0.6597	NPC301760
Remote Similarity	0.6594	NPC314431
Remote Similarity	0.6594	NPC280807
Remote Similarity	0.6594	NPC226662
Remote Similarity	0.6594	NPC472245
Remote Similarity	0.6593	NPC22746
Remote Similarity	0.6593	NPC222466
Remote Similarity	0.6589	NPC470550
Remote Similarity	0.6581	NPC473661
Remote Similarity	0.6579	NPC17497
Remote Similarity	0.6579	NPC473031
Remote Similarity	0.6579	NPC305602
Remote Similarity	0.6573	NPC65408
Remote Similarity	0.6571	NPC287401
Remote Similarity	0.6565	NPC192209
Remote Similarity	0.6554	NPC212799
Remote Similarity	0.6549	NPC325599
Remote Similarity	0.6538	NPC471124
Remote Similarity	0.6533	NPC66936
Remote Similarity	0.6532	NPC473418
Remote Similarity	0.6525	NPC248283
Remote Similarity	0.6522	NPC111233
Remote Similarity	0.6522	NPC469666
Remote Similarity	0.6519	NPC254698
Remote Similarity	0.6518	NPC15839
Remote Similarity	0.6516	NPC191863
Remote Similarity	0.6516	NPC289776
Remote Similarity	0.6516	NPC133470
Remote Similarity	0.6512	NPC296163
Remote Similarity	0.6512	NPC187036
Remote Similarity	0.6504	NPC471317
Remote Similarity	0.6504	NPC202613
Remote Similarity	0.6503	NPC287358
Remote Similarity	0.6494	NPC471122
Remote Similarity	0.6483	NPC471164
Remote Similarity	0.6481	NPC11126
Remote Similarity	0.648	NPC473498
Remote Similarity	0.6479	NPC300299
Remote Similarity	0.6474	NPC189116
Remote Similarity	0.6471	NPC256452
Remote Similarity	0.6471	NPC317758
Remote Similarity	0.6466	NPC470877
Remote Similarity	0.6466	NPC291962
Remote Similarity	0.6466	NPC177684
Remote Similarity	0.6462	NPC205652
Remote Similarity	0.6452	NPC472102
Remote Similarity	0.6452	NPC309531
Remote Similarity	0.6449	NPC319766
Remote Similarity	0.6447	NPC281094
Remote Similarity	0.6442	NPC39822
Remote Similarity	0.6442	NPC91179
Remote Similarity	0.6434	NPC471265
Remote Similarity	0.6434	NPC471264
Remote Similarity	0.6424	NPC154602
Remote Similarity	0.6423	NPC291610
Remote Similarity	0.642	NPC64436
Remote Similarity	0.6418	NPC112373
Remote Similarity	0.6418	NPC317564
Remote Similarity	0.6418	NPC258531
Remote Similarity	0.6418	NPC161956
Remote Similarity	0.6414	NPC263493
Remote Similarity	0.6414	NPC269398
Remote Similarity	0.6414	NPC207554
Remote Similarity	0.641	NPC194881
Remote Similarity	0.641	NPC159178
Remote Similarity	0.641	NPC141139
Remote Similarity	0.641	NPC472101
Remote Similarity	0.641	NPC209764
Remote Similarity	0.641	NPC471307
Remote Similarity	0.641	NPC78041
Remote Similarity	0.641	NPC74936
Remote Similarity	0.641	NPC472117
Remote Similarity	0.641	NPC472120
Remote Similarity	0.641	NPC121872
Remote Similarity	0.6408	NPC141050
Remote Similarity	0.6403	NPC111428
Remote Similarity	0.6393	NPC12730
Remote Similarity	0.6389	NPC476133
Remote Similarity	0.6389	NPC92784
Remote Similarity	0.6389	NPC470884
Remote Similarity	0.6389	NPC89489
Remote Similarity	0.6389	NPC178662
Remote Similarity	0.6389	NPC98424
Remote Similarity	0.6387	NPC476483
Remote Similarity	0.6387	NPC71140
Remote Similarity	0.6383	NPC325479
Remote Similarity	0.6382	NPC285381
Remote Similarity	0.6382	NPC117032
Remote Similarity	0.6377	NPC250476
Remote Similarity	0.6376	NPC478039
Remote Similarity	0.637	NPC471574
Remote Similarity	0.637	NPC161069
Remote Similarity	0.6369	NPC271734
Remote Similarity	0.6358	NPC473329
Remote Similarity	0.6358	NPC187951
Remote Similarity	0.6349	NPC327481
Remote Similarity	0.6346	NPC315368
Remote Similarity	0.6346	NPC143457
Remote Similarity	0.6343	NPC226143
Remote Similarity	0.6341	NPC326792
Remote Similarity	0.6339	NPC231986
Remote Similarity	0.6333	NPC303045
Remote Similarity	0.6333	NPC161972
Remote Similarity	0.633	NPC271642
Remote Similarity	0.6329	NPC472106
Remote Similarity	0.6327	NPC476978
Remote Similarity	0.6325	NPC228835
Remote Similarity	0.6325	NPC165495
Remote Similarity	0.6323	NPC299594
Remote Similarity	0.6323	NPC222029
Remote Similarity	0.6323	NPC153694
Remote Similarity	0.6323	NPC113946
Remote Similarity	0.6323	NPC211525
Remote Similarity	0.6316	NPC313449
Remote Similarity	0.6312	NPC231382
Remote Similarity	0.6311	NPC322598

Drug Structure

External Identifiers

TTD	DNCL003098
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID	71157
ChEBI
CAS Number

Drug Properties

Molecular Weight	246.14
ALogP	0.1242
MLogP	2.56
XLogP	2.356
HDA	4
HBD	1
Rotatable Bonds	6
TPSA	52.9
RO5 Violation	0