NPASS drugs

Drug Information

Drug ID:	NPD1387
Drug Name:	Ordopidine
Molecular Formula:	C14H20FNO2S
Canonical SMILES:	CCN1CCC(CC1)c1cccc(c1F)S(=O)(=O)C
Standard InCHI:	InChI=1S/C14H20FNO2S/c1-3-16-9-7-11(8-10-16)12-5-4-6-13(14(12)15)19(2,17)18/h4-6,11H,3,7-10H2,1-2H3
Standard InCHIKey:	UKUPJASJNQDHPH-UHFFFAOYSA-N
Max Developmental Stage:	Phase 1
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD1387

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	204
0.1-0.2	2346
0.2-0.3	10616
0.3-0.4	13999
0.4-0.5	3276
0.5-0.6	408
0.6-0.7	41
0.7-0.8	0
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
Remote Similarity	0.6863	NPC104070
Remote Similarity	0.6863	NPC474088
Remote Similarity	0.6759	NPC473661
Remote Similarity	0.6667	NPC231986
Remote Similarity	0.6667	NPC470926
Remote Similarity	0.6577	NPC317400
Remote Similarity	0.65	NPC271642
Remote Similarity	0.65	NPC302129
Remote Similarity	0.6449	NPC305602
Remote Similarity	0.6449	NPC17497
Remote Similarity	0.6429	NPC313850
Remote Similarity	0.6408	NPC475289
Remote Similarity	0.6408	NPC475573
Remote Similarity	0.64	NPC98976
Remote Similarity	0.6364	NPC244738
Remote Similarity	0.6355	NPC258046
Remote Similarity	0.6337	NPC35599
Remote Similarity	0.6337	NPC139658
Remote Similarity	0.6289	NPC181786
Remote Similarity	0.625	NPC71140
Remote Similarity	0.62	NPC212463
Remote Similarity	0.6195	NPC329430
Remote Similarity	0.6186	NPC52330
Remote Similarity	0.6168	NPC169016
Remote Similarity	0.6168	NPC133162
Remote Similarity	0.6154	NPC239854
Remote Similarity	0.6147	NPC53492
Remote Similarity	0.6134	NPC167336
Remote Similarity	0.6106	NPC322040
Remote Similarity	0.6078	NPC276699
Remote Similarity	0.6068	NPC474582
Remote Similarity	0.6066	NPC158854
Remote Similarity	0.6061	NPC5324
Remote Similarity	0.6058	NPC12857
Remote Similarity	0.6055	NPC148231
Remote Similarity	0.6047	NPC302169
Remote Similarity	0.6	NPC473417
Remote Similarity	0.6	NPC60408
Remote Similarity	0.6	NPC473418
Remote Similarity	0.6	NPC229235
Remote Similarity	0.6	NPC135924
Remote Similarity	0.598	NPC112609
Remote Similarity	0.598	NPC299134
Remote Similarity	0.598	NPC113000
Remote Similarity	0.598	NPC122327
Remote Similarity	0.5979	NPC32312
Remote Similarity	0.5979	NPC198023
Remote Similarity	0.5979	NPC155172
Remote Similarity	0.5962	NPC290638
Remote Similarity	0.5935	NPC292758
Remote Similarity	0.5935	NPC65855
Remote Similarity	0.5917	NPC469974
Remote Similarity	0.5913	NPC256452
Remote Similarity	0.5912	NPC32858
Remote Similarity	0.5912	NPC194857
Remote Similarity	0.5897	NPC120203
Remote Similarity	0.5876	NPC88566
Remote Similarity	0.5876	NPC45756
Remote Similarity	0.5873	NPC476048
Remote Similarity	0.5868	NPC474695
Remote Similarity	0.584	NPC181390
Remote Similarity	0.5833	NPC14326
Remote Similarity	0.5833	NPC210849
Remote Similarity	0.5826	NPC474974
Remote Similarity	0.5826	NPC471309
Remote Similarity	0.5814	NPC476440
Remote Similarity	0.5812	NPC472258
Remote Similarity	0.581	NPC98269
Remote Similarity	0.581	NPC325662
Remote Similarity	0.578	NPC119677
Remote Similarity	0.5776	NPC303045
Remote Similarity	0.5776	NPC161972
Remote Similarity	0.5773	NPC29680
Remote Similarity	0.5766	NPC203076
Remote Similarity	0.5763	NPC322598
Remote Similarity	0.5758	NPC178527
Remote Similarity	0.5758	NPC36440
Remote Similarity	0.5755	NPC67863
Remote Similarity	0.575	NPC291610
Remote Similarity	0.5728	NPC54269
Remote Similarity	0.5714	NPC475013
Remote Similarity	0.5714	NPC471638
Remote Similarity	0.5714	NPC22627
Remote Similarity	0.5714	NPC473031
Remote Similarity	0.5714	NPC113670
Remote Similarity	0.57	NPC267443
Remote Similarity	0.5692	NPC254088
Remote Similarity	0.5691	NPC45033
Remote Similarity	0.5686	NPC219246
Remote Similarity	0.5684	NPC300345
Remote Similarity	0.5684	NPC212114
Remote Similarity	0.5684	NPC65873
Remote Similarity	0.5684	NPC120441
Remote Similarity	0.5676	NPC3210
Remote Similarity	0.567	NPC246588
Remote Similarity	0.567	NPC150196
Remote Similarity	0.567	NPC238023
Remote Similarity	0.567	NPC45255
Remote Similarity	0.567	NPC310758
Remote Similarity	0.567	NPC54368
Remote Similarity	0.567	NPC248705
Remote Similarity	0.5667	NPC469457
Remote Similarity	0.5664	NPC12429
Remote Similarity	0.5659	NPC218710
Remote Similarity	0.5652	NPC245259
Remote Similarity	0.5636	NPC125549
Remote Similarity	0.5614	NPC470877
Remote Similarity	0.5612	NPC71009
Remote Similarity	0.5612	NPC22786

Drug Structure

External Identifiers

TTD	DIB007760
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID
ChEBI
CAS Number

Drug Properties

Molecular Weight	285.12
ALogP	-0.3362
MLogP	2.45
XLogP	2.604
HDA	3
HBD	0
Rotatable Bonds	6
TPSA	45.76
RO5 Violation	0