NPASS drugs

Drug Information

Drug ID:	NPD2484
Drug Name:	Nefopam Hydrochloride
Molecular Formula:	C17H19NO.ClH
Canonical SMILES:	CN1CCOC(c2c(C1)cccc2)c1ccccc1.Cl
Standard InCHI:	InChI=1S/C17H19NO.ClH/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18;/h2-10,17H,11-13H2,1H3;1H
Standard InCHIKey:	CNNVSINJDJNHQK-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD2484

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	128
0.1-0.2	902
0.2-0.3	2897
0.3-0.4	9308
0.4-0.5	10922
0.5-0.6	6014
0.6-0.7	698
0.7-0.8	20
0.8-0.85	0
0.85-0.9	1
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
High Similarity	0.8532	NPC316797
Intermediate Similarity	0.7797	NPC24777
Intermediate Similarity	0.7619	NPC316896
Intermediate Similarity	0.7414	NPC214200
Intermediate Similarity	0.7414	NPC228400
Intermediate Similarity	0.7402	NPC326232
Intermediate Similarity	0.7377	NPC269340
Intermediate Similarity	0.7355	NPC65855
Intermediate Similarity	0.7355	NPC292758
Intermediate Similarity	0.7143	NPC314682
Intermediate Similarity	0.7092	NPC213206
Intermediate Similarity	0.7092	NPC474915
Intermediate Similarity	0.7092	NPC328750
Intermediate Similarity	0.7092	NPC188163
Intermediate Similarity	0.709	NPC172403
Intermediate Similarity	0.7077	NPC314192
Intermediate Similarity	0.7059	NPC327226
Intermediate Similarity	0.7045	NPC255253
Intermediate Similarity	0.7045	NPC217277
Intermediate Similarity	0.7018	NPC470926
Intermediate Similarity	0.7	NPC321133
Remote Similarity	0.6985	NPC160193
Remote Similarity	0.6972	NPC470925
Remote Similarity	0.697	NPC471315
Remote Similarity	0.697	NPC471314
Remote Similarity	0.6942	NPC147000
Remote Similarity	0.6942	NPC304761
Remote Similarity	0.6942	NPC150254
Remote Similarity	0.6942	NPC226778
Remote Similarity	0.6917	NPC307020
Remote Similarity	0.6897	NPC185838
Remote Similarity	0.6897	NPC130926
Remote Similarity	0.6881	NPC165212
Remote Similarity	0.6875	NPC476567
Remote Similarity	0.6875	NPC136860
Remote Similarity	0.6875	NPC128019
Remote Similarity	0.6803	NPC16107
Remote Similarity	0.6803	NPC51957
Remote Similarity	0.6803	NPC210437
Remote Similarity	0.6803	NPC476151
Remote Similarity	0.6803	NPC106295
Remote Similarity	0.6803	NPC476144
Remote Similarity	0.6803	NPC191376
Remote Similarity	0.6803	NPC179825
Remote Similarity	0.6803	NPC321505
Remote Similarity	0.6791	NPC211218
Remote Similarity	0.6791	NPC328267
Remote Similarity	0.6757	NPC7467
Remote Similarity	0.6757	NPC135538
Remote Similarity	0.6757	NPC428
Remote Similarity	0.6757	NPC104070
Remote Similarity	0.6757	NPC24233
Remote Similarity	0.6757	NPC147390
Remote Similarity	0.6757	NPC475959
Remote Similarity	0.6757	NPC246587
Remote Similarity	0.6757	NPC476571
Remote Similarity	0.6748	NPC211551
Remote Similarity	0.6714	NPC266425
Remote Similarity	0.6714	NPC325568
Remote Similarity	0.6711	NPC477565
Remote Similarity	0.6711	NPC103379
Remote Similarity	0.6696	NPC95429
Remote Similarity	0.6695	NPC215351
Remote Similarity	0.6695	NPC20142
Remote Similarity	0.6689	NPC90844
Remote Similarity	0.6689	NPC95075
Remote Similarity	0.6689	NPC253883
Remote Similarity	0.6689	NPC144863
Remote Similarity	0.6667	NPC212850
Remote Similarity	0.6667	NPC290515
Remote Similarity	0.6667	NPC14950
Remote Similarity	0.6667	NPC189724
Remote Similarity	0.6667	NPC158854
Remote Similarity	0.6667	NPC164514
Remote Similarity	0.6667	NPC108606
Remote Similarity	0.6667	NPC233650
Remote Similarity	0.6667	NPC274026
Remote Similarity	0.6667	NPC226096
Remote Similarity	0.6667	NPC83289
Remote Similarity	0.6667	NPC303611
Remote Similarity	0.6643	NPC231163
Remote Similarity	0.6643	NPC318591
Remote Similarity	0.6643	NPC118419
Remote Similarity	0.6642	NPC218323
Remote Similarity	0.6642	NPC26285
Remote Similarity	0.6624	NPC169743
Remote Similarity	0.6624	NPC134858
Remote Similarity	0.6623	NPC129603
Remote Similarity	0.6623	NPC81733
Remote Similarity	0.6623	NPC326316
Remote Similarity	0.6621	NPC475128
Remote Similarity	0.6618	NPC62101
Remote Similarity	0.6618	NPC95733
Remote Similarity	0.6617	NPC263835
Remote Similarity	0.6617	NPC17388
Remote Similarity	0.6617	NPC53596
Remote Similarity	0.6617	NPC160120
Remote Similarity	0.6617	NPC289330
Remote Similarity	0.6617	NPC471308
Remote Similarity	0.6615	NPC101139
Remote Similarity	0.6609	NPC304760
Remote Similarity	0.66	NPC219162
Remote Similarity	0.66	NPC207824
Remote Similarity	0.66	NPC60538
Remote Similarity	0.66	NPC92541
Remote Similarity	0.6596	NPC160692
Remote Similarity	0.6581	NPC92191
Remote Similarity	0.6581	NPC59028
Remote Similarity	0.6579	NPC133011
Remote Similarity	0.6579	NPC82285
Remote Similarity	0.6579	NPC148898
Remote Similarity	0.6573	NPC131204
Remote Similarity	0.6573	NPC7018
Remote Similarity	0.6573	NPC301050
Remote Similarity	0.6569	NPC29477
Remote Similarity	0.6558	NPC25084
Remote Similarity	0.6558	NPC247639
Remote Similarity	0.6557	NPC245927
Remote Similarity	0.6556	NPC220858
Remote Similarity	0.6556	NPC192768
Remote Similarity	0.6556	NPC88249
Remote Similarity	0.6556	NPC97221
Remote Similarity	0.6556	NPC151895
Remote Similarity	0.6555	NPC58674
Remote Similarity	0.6555	NPC329430
Remote Similarity	0.6549	NPC293377
Remote Similarity	0.6549	NPC260045
Remote Similarity	0.6549	NPC76785
Remote Similarity	0.6549	NPC9687
Remote Similarity	0.6549	NPC273907
Remote Similarity	0.6549	NPC474787
Remote Similarity	0.6549	NPC118099
Remote Similarity	0.6549	NPC475598
Remote Similarity	0.6549	NPC90194
Remote Similarity	0.6549	NPC474811
Remote Similarity	0.6549	NPC475318
Remote Similarity	0.6549	NPC474855
Remote Similarity	0.6549	NPC49577
Remote Similarity	0.6549	NPC151706
Remote Similarity	0.6549	NPC476102
Remote Similarity	0.6549	NPC79465
Remote Similarity	0.6544	NPC285394
Remote Similarity	0.6541	NPC43275
Remote Similarity	0.6541	NPC210140
Remote Similarity	0.6541	NPC150879
Remote Similarity	0.6535	NPC273837
Remote Similarity	0.6529	NPC475954
Remote Similarity	0.6528	NPC253429
Remote Similarity	0.6516	NPC148014
Remote Similarity	0.6516	NPC78359
Remote Similarity	0.6516	NPC65490
Remote Similarity	0.6516	NPC315707
Remote Similarity	0.6516	NPC40389
Remote Similarity	0.6513	NPC76213
Remote Similarity	0.6513	NPC277669
Remote Similarity	0.6513	NPC476568
Remote Similarity	0.6508	NPC186469
Remote Similarity	0.6504	NPC239854
Remote Similarity	0.6503	NPC11147
Remote Similarity	0.6496	NPC325013
Remote Similarity	0.6494	NPC207757
Remote Similarity	0.6494	NPC110416
Remote Similarity	0.6494	NPC138487
Remote Similarity	0.6494	NPC172765
Remote Similarity	0.6494	NPC193949
Remote Similarity	0.6494	NPC184026
Remote Similarity	0.6494	NPC39701
Remote Similarity	0.6494	NPC127674
Remote Similarity	0.6494	NPC5238
Remote Similarity	0.6494	NPC78733
Remote Similarity	0.6494	NPC204828
Remote Similarity	0.6494	NPC469817
Remote Similarity	0.6494	NPC216459
Remote Similarity	0.6494	NPC189266
Remote Similarity	0.6494	NPC276588
Remote Similarity	0.6494	NPC295691
Remote Similarity	0.6494	NPC249797
Remote Similarity	0.6494	NPC54379
Remote Similarity	0.6494	NPC41178
Remote Similarity	0.6494	NPC2413
Remote Similarity	0.6494	NPC278799
Remote Similarity	0.6486	NPC247298
Remote Similarity	0.6486	NPC260194
Remote Similarity	0.648	NPC476198
Remote Similarity	0.6475	NPC17374
Remote Similarity	0.6475	NPC66177
Remote Similarity	0.6475	NPC268763
Remote Similarity	0.6475	NPC8305
Remote Similarity	0.6474	NPC477080
Remote Similarity	0.6471	NPC210148
Remote Similarity	0.6471	NPC233029
Remote Similarity	0.6471	NPC26601
Remote Similarity	0.6463	NPC473922
Remote Similarity	0.6462	NPC474544
Remote Similarity	0.6462	NPC1986
Remote Similarity	0.6462	NPC26524
Remote Similarity	0.6458	NPC167944
Remote Similarity	0.6458	NPC231884
Remote Similarity	0.6458	NPC42793
Remote Similarity	0.6452	NPC147091

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight	253.15
ALogP	-0.0542
MLogP	3.11
XLogP	4.994
HDA	2
HBD	0
Rotatable Bonds	2
TPSA	12.47
RO5 Violation	0