NPASS drugs

Drug Information

Drug ID:	NPD1386
Drug Name:	Seridopidine
Molecular Formula:	C14H20FNO2S
Canonical SMILES:	CCN1CCC(CC1)c1cc(F)cc(c1)S(=O)(=O)C
Standard InCHI:	InChI=1S/C14H20FNO2S/c1-3-16-6-4-11(5-7-16)12-8-13(15)10-14(9-12)19(2,17)18/h8-11H,3-7H2,1-2H3
Standard InCHIKey:	PHRDGRSMZPOCAB-UHFFFAOYSA-N
Max Developmental Stage:	Phase 1
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD1386

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	201
0.1-0.2	2330
0.2-0.3	10924
0.3-0.4	14033
0.4-0.5	3033
0.5-0.6	340
0.6-0.7	29
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	0.6765	NPC104070
Remote Similarity	0.6765	NPC474088
Remote Similarity	0.6667	NPC473661
Remote Similarity	0.6574	NPC470926
Remote Similarity	0.6569	NPC231986
Remote Similarity	0.6486	NPC317400
Remote Similarity	0.64	NPC271642
Remote Similarity	0.64	NPC302129
Remote Similarity	0.6357	NPC313850
Remote Similarity	0.6355	NPC17497
Remote Similarity	0.6355	NPC305602
Remote Similarity	0.6311	NPC475573
Remote Similarity	0.6311	NPC475289
Remote Similarity	0.63	NPC98976
Remote Similarity	0.6263	NPC244738
Remote Similarity	0.6262	NPC258046
Remote Similarity	0.6238	NPC35599
Remote Similarity	0.6238	NPC139658
Remote Similarity	0.6186	NPC181786
Remote Similarity	0.6161	NPC71140
Remote Similarity	0.6106	NPC329430
Remote Similarity	0.61	NPC212463
Remote Similarity	0.6082	NPC52330
Remote Similarity	0.6075	NPC169016
Remote Similarity	0.6075	NPC133162
Remote Similarity	0.6068	NPC239854
Remote Similarity	0.6055	NPC53492
Remote Similarity	0.605	NPC167336
Remote Similarity	0.6018	NPC322040
Remote Similarity	0.5984	NPC158854
Remote Similarity	0.5983	NPC474582
Remote Similarity	0.598	NPC276699
Remote Similarity	0.5969	NPC302169
Remote Similarity	0.5963	NPC148231
Remote Similarity	0.5962	NPC12857
Remote Similarity	0.596	NPC5324
Remote Similarity	0.5938	NPC45756
Remote Similarity	0.5926	NPC473417
Remote Similarity	0.5917	NPC473418
Remote Similarity	0.5909	NPC60408
Remote Similarity	0.59	NPC229235
Remote Similarity	0.5895	NPC135924
Remote Similarity	0.5882	NPC112609
Remote Similarity	0.5882	NPC299134
Remote Similarity	0.5882	NPC113000
Remote Similarity	0.5882	NPC122327
Remote Similarity	0.5876	NPC198023
Remote Similarity	0.5876	NPC32312
Remote Similarity	0.5876	NPC155172
Remote Similarity	0.5865	NPC290638
Remote Similarity	0.5854	NPC292758
Remote Similarity	0.5854	NPC65855
Remote Similarity	0.5839	NPC194857
Remote Similarity	0.5839	NPC32858
Remote Similarity	0.5833	NPC469974
Remote Similarity	0.5826	NPC256452
Remote Similarity	0.5812	NPC120203
Remote Similarity	0.5794	NPC476048
Remote Similarity	0.5785	NPC474695
Remote Similarity	0.5773	NPC88566
Remote Similarity	0.576	NPC181390
Remote Similarity	0.5741	NPC14326
Remote Similarity	0.5739	NPC474974
Remote Similarity	0.5739	NPC471309
Remote Similarity	0.5736	NPC476440
Remote Similarity	0.5729	NPC210849
Remote Similarity	0.5726	NPC472258
Remote Similarity	0.5714	NPC98269
Remote Similarity	0.5714	NPC325662
Remote Similarity	0.569	NPC303045
Remote Similarity	0.569	NPC161972
Remote Similarity	0.5688	NPC119677
Remote Similarity	0.5678	NPC322598
Remote Similarity	0.5676	NPC203076
Remote Similarity	0.567	NPC29680
Remote Similarity	0.5667	NPC291610
Remote Similarity	0.566	NPC67863
Remote Similarity	0.5657	NPC178527
Remote Similarity	0.5657	NPC36440
Remote Similarity	0.5635	NPC475013
Remote Similarity	0.5631	NPC54269
Remote Similarity	0.5625	NPC473031
Remote Similarity	0.5625	NPC471638
Remote Similarity	0.5615	NPC254088
Remote Similarity	0.5612	NPC113670
Remote Similarity	0.5612	NPC22627
Remote Similarity	0.561	NPC45033
Remote Similarity	0.56	NPC267443

Drug Structure

External Identifiers

TTD	DIB011241
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