NPASS drugs

Drug Information

Drug ID:	NPD1796
Drug Name:	Pridopidine
Molecular Formula:	C15H23NO2S
Canonical SMILES:	CCCN1CCC(CC1)c1cccc(c1)S(=O)(=O)C
Standard InCHI:	InChI=1S/C15H23NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-6,12-13H,3,7-11H2,1-2H3
Standard InCHIKey:	YGKUEOZJFIXDGI-UHFFFAOYSA-N
Max Developmental Stage:	Phase 3
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD1796

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	191
0.1-0.2	2149
0.2-0.3	10014
0.3-0.4	14296
0.4-0.5	3676
0.5-0.6	503
0.6-0.7	59
0.7-0.8	2
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	0.7071	NPC474088
Intermediate Similarity	0.7071	NPC104070
Remote Similarity	0.6952	NPC473661
Remote Similarity	0.6869	NPC231986
Remote Similarity	0.6857	NPC470926
Remote Similarity	0.6759	NPC317400
Remote Similarity	0.6701	NPC302129
Remote Similarity	0.6701	NPC271642
Remote Similarity	0.6635	NPC305602
Remote Similarity	0.6635	NPC17497
Remote Similarity	0.66	NPC475573
Remote Similarity	0.66	NPC475289
Remote Similarity	0.6598	NPC98976
Remote Similarity	0.6562	NPC244738
Remote Similarity	0.6538	NPC258046
Remote Similarity	0.6531	NPC35599
Remote Similarity	0.6531	NPC139658
Remote Similarity	0.6422	NPC71140
Remote Similarity	0.6392	NPC212463
Remote Similarity	0.6383	NPC52330
Remote Similarity	0.6364	NPC329430
Remote Similarity	0.6346	NPC169016
Remote Similarity	0.6346	NPC133162
Remote Similarity	0.6321	NPC53492
Remote Similarity	0.6316	NPC181786
Remote Similarity	0.6316	NPC239854
Remote Similarity	0.6293	NPC167336
Remote Similarity	0.6273	NPC322040
Remote Similarity	0.6263	NPC276699
Remote Similarity	0.625	NPC5324
Remote Similarity	0.6238	NPC12857
Remote Similarity	0.6228	NPC474582
Remote Similarity	0.6226	NPC148231
Remote Similarity	0.6218	NPC158854
Remote Similarity	0.6214	NPC313850
Remote Similarity	0.6196	NPC135924
Remote Similarity	0.619	NPC302169
Remote Similarity	0.6186	NPC229235
Remote Similarity	0.617	NPC198023
Remote Similarity	0.617	NPC32312
Remote Similarity	0.617	NPC155172
Remote Similarity	0.6168	NPC60408
Remote Similarity	0.6162	NPC299134
Remote Similarity	0.6162	NPC122327
Remote Similarity	0.6162	NPC112609
Remote Similarity	0.6162	NPC113000
Remote Similarity	0.6154	NPC473418
Remote Similarity	0.6139	NPC290638
Remote Similarity	0.6083	NPC292758
Remote Similarity	0.6083	NPC65855
Remote Similarity	0.6071	NPC256452
Remote Similarity	0.6068	NPC469974
Remote Similarity	0.6064	NPC88566
Remote Similarity	0.6064	NPC45756
Remote Similarity	0.6053	NPC120203
Remote Similarity	0.6045	NPC32858
Remote Similarity	0.6045	NPC194857
Remote Similarity	0.6022	NPC210849
Remote Similarity	0.6017	NPC474695
Remote Similarity	0.6016	NPC476048
Remote Similarity	0.6	NPC14326
Remote Similarity	0.5984	NPC181390
Remote Similarity	0.5982	NPC474974
Remote Similarity	0.598	NPC325662
Remote Similarity	0.598	NPC98269
Remote Similarity	0.5965	NPC472258
Remote Similarity	0.5957	NPC29680
Remote Similarity	0.5952	NPC476440
Remote Similarity	0.5943	NPC119677
Remote Similarity	0.5938	NPC36440
Remote Similarity	0.5938	NPC178527
Remote Similarity	0.5929	NPC161972
Remote Similarity	0.5929	NPC303045
Remote Similarity	0.5926	NPC203076
Remote Similarity	0.5922	NPC67863
Remote Similarity	0.5913	NPC322598
Remote Similarity	0.59	NPC54269
Remote Similarity	0.5897	NPC291610
Remote Similarity	0.5896	NPC473417
Remote Similarity	0.5895	NPC113670
Remote Similarity	0.5895	NPC22627
Remote Similarity	0.5876	NPC267443
Remote Similarity	0.5872	NPC471638
Remote Similarity	0.5872	NPC473031
Remote Similarity	0.587	NPC65873
Remote Similarity	0.587	NPC120441
Remote Similarity	0.587	NPC300345
Remote Similarity	0.587	NPC212114
Remote Similarity	0.5859	NPC219246
Remote Similarity	0.5854	NPC475013
Remote Similarity	0.5851	NPC45255
Remote Similarity	0.5851	NPC310758
Remote Similarity	0.5851	NPC54368
Remote Similarity	0.5851	NPC246588
Remote Similarity	0.5851	NPC150196
Remote Similarity	0.5851	NPC238023
Remote Similarity	0.5851	NPC248705
Remote Similarity	0.5833	NPC45033
Remote Similarity	0.5833	NPC3210
Remote Similarity	0.5827	NPC254088
Remote Similarity	0.5818	NPC12429
Remote Similarity	0.5812	NPC469457
Remote Similarity	0.5804	NPC245259
Remote Similarity	0.5794	NPC218710
Remote Similarity	0.5794	NPC125549
Remote Similarity	0.5789	NPC71009
Remote Similarity	0.5789	NPC22786
Remote Similarity	0.5766	NPC470877
Remote Similarity	0.5761	NPC269586
Remote Similarity	0.5761	NPC198841
Remote Similarity	0.5758	NPC139416
Remote Similarity	0.5758	NPC213570
Remote Similarity	0.5758	NPC200936
Remote Similarity	0.5758	NPC246822
Remote Similarity	0.5745	NPC147062
Remote Similarity	0.5739	NPC471319
Remote Similarity	0.5739	NPC471320
Remote Similarity	0.5739	NPC25565
Remote Similarity	0.5729	NPC50266
Remote Similarity	0.5728	NPC110264
Remote Similarity	0.5725	NPC169485
Remote Similarity	0.5725	NPC291027
Remote Similarity	0.5725	NPC317474
Remote Similarity	0.5725	NPC213126
Remote Similarity	0.5725	NPC84281
Remote Similarity	0.5714	NPC159178
Remote Similarity	0.5714	NPC74936
Remote Similarity	0.5714	NPC471307
Remote Similarity	0.5714	NPC141139
Remote Similarity	0.5714	NPC209764
Remote Similarity	0.5714	NPC78041
Remote Similarity	0.5714	NPC121872
Remote Similarity	0.5714	NPC246904
Remote Similarity	0.5714	NPC172128
Remote Similarity	0.5714	NPC6107
Remote Similarity	0.5704	NPC328590
Remote Similarity	0.5702	NPC300455
Remote Similarity	0.5702	NPC469330
Remote Similarity	0.569	NPC473501
Remote Similarity	0.569	NPC475439
Remote Similarity	0.5678	NPC214200
Remote Similarity	0.5678	NPC228400
Remote Similarity	0.5673	NPC249018
Remote Similarity	0.5673	NPC3190
Remote Similarity	0.567	NPC291066
Remote Similarity	0.5669	NPC473573
Remote Similarity	0.5667	NPC275467
Remote Similarity	0.5664	NPC226438
Remote Similarity	0.5662	NPC300315
Remote Similarity	0.5659	NPC264580
Remote Similarity	0.5652	NPC277704
Remote Similarity	0.5652	NPC58674
Remote Similarity	0.5652	NPC108339
Remote Similarity	0.5652	NPC149436
Remote Similarity	0.5649	NPC314192
Remote Similarity	0.5648	NPC477770
Remote Similarity	0.5644	NPC87099
Remote Similarity	0.5644	NPC193578
Remote Similarity	0.5644	NPC39799
Remote Similarity	0.5644	NPC135433
Remote Similarity	0.5644	NPC226999
Remote Similarity	0.5644	NPC1008
Remote Similarity	0.5644	NPC158028
Remote Similarity	0.5644	NPC280135
Remote Similarity	0.5638	NPC8235
Remote Similarity	0.5638	NPC114327
Remote Similarity	0.5638	NPC64270
Remote Similarity	0.5638	NPC36357
Remote Similarity	0.563	NPC329375
Remote Similarity	0.5625	NPC66517
Remote Similarity	0.562	NPC143516
Remote Similarity	0.5619	NPC103488
Remote Similarity	0.5612	NPC289915
Remote Similarity	0.5612	NPC113837
Remote Similarity	0.56	NPC473206
Remote Similarity	0.56	NPC297358

Drug Structure

External Identifiers

TTD	DIB014244
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID
ChEBI
CAS Number

Drug Properties

Molecular Weight	281.14
ALogP	-1.3937
MLogP	2.67
XLogP	3.214
HDA	3
HBD	0
Rotatable Bonds	6
TPSA	45.76
RO5 Violation	0