NPASS drugs

Drug Information

Drug ID:	NPD461
Drug Name:	Sulfapyridine
Molecular Formula:	C11H11N3O2S
Canonical SMILES:	Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Standard InCHI:	InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
Standard InCHIKey:	GECHUMIMRBOMGK-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD461

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	2000
0.1-0.2	11622
0.2-0.3	12181
0.3-0.4	2406
0.4-0.5	1561
0.5-0.6	909
0.6-0.7	202
0.7-0.8	8
0.8-0.85	1
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	0.812	NPC84268
Intermediate Similarity	0.7484	NPC469897
Intermediate Similarity	0.7379	NPC135488
Intermediate Similarity	0.7194	NPC473901
Intermediate Similarity	0.7181	NPC282398
Intermediate Similarity	0.7132	NPC231655
Intermediate Similarity	0.7068	NPC83987
Intermediate Similarity	0.702	NPC101165
Intermediate Similarity	0.7014	NPC11863
Remote Similarity	0.6986	NPC56856
Remote Similarity	0.6959	NPC146373
Remote Similarity	0.6959	NPC245244
Remote Similarity	0.6959	NPC166424
Remote Similarity	0.6944	NPC91958
Remote Similarity	0.6939	NPC46358
Remote Similarity	0.6933	NPC120070
Remote Similarity	0.6892	NPC27740
Remote Similarity	0.6857	NPC27802
Remote Similarity	0.6828	NPC143603
Remote Similarity	0.6811	NPC469308
Remote Similarity	0.6802	NPC317054
Remote Similarity	0.6797	NPC471322
Remote Similarity	0.6763	NPC76540
Remote Similarity	0.6711	NPC89490
Remote Similarity	0.6689	NPC265605
Remote Similarity	0.6689	NPC48564
Remote Similarity	0.6689	NPC182570
Remote Similarity	0.6688	NPC256893
Remote Similarity	0.6667	NPC143872
Remote Similarity	0.6667	NPC476322
Remote Similarity	0.6667	NPC475105
Remote Similarity	0.6667	NPC475090
Remote Similarity	0.6667	NPC329896
Remote Similarity	0.6644	NPC297486
Remote Similarity	0.6644	NPC240136
Remote Similarity	0.6644	NPC471402
Remote Similarity	0.6643	NPC235843
Remote Similarity	0.6624	NPC96102
Remote Similarity	0.66	NPC290094
Remote Similarity	0.6582	NPC314102
Remote Similarity	0.6582	NPC251722
Remote Similarity	0.6582	NPC105127
Remote Similarity	0.6582	NPC84911
Remote Similarity	0.6581	NPC82295
Remote Similarity	0.6568	NPC470204
Remote Similarity	0.6564	NPC63545
Remote Similarity	0.6529	NPC470203
Remote Similarity	0.6524	NPC201380
Remote Similarity	0.6524	NPC471957
Remote Similarity	0.6524	NPC179787
Remote Similarity	0.6524	NPC469811
Remote Similarity	0.6519	NPC29886
Remote Similarity	0.6519	NPC261195
Remote Similarity	0.6506	NPC216713
Remote Similarity	0.65	NPC110126
Remote Similarity	0.65	NPC73767
Remote Similarity	0.6485	NPC321911
Remote Similarity	0.6481	NPC190296
Remote Similarity	0.6481	NPC320863
Remote Similarity	0.6477	NPC315715
Remote Similarity	0.6471	NPC169625
Remote Similarity	0.6471	NPC122141
Remote Similarity	0.6471	NPC476140
Remote Similarity	0.6471	NPC202957
Remote Similarity	0.646	NPC469768
Remote Similarity	0.646	NPC279081
Remote Similarity	0.646	NPC469779
Remote Similarity	0.646	NPC469761
Remote Similarity	0.646	NPC469783
Remote Similarity	0.646	NPC469784
Remote Similarity	0.646	NPC469767
Remote Similarity	0.646	NPC469780
Remote Similarity	0.6457	NPC314557
Remote Similarity	0.6452	NPC476131
Remote Similarity	0.645	NPC316910
Remote Similarity	0.6438	NPC169433
Remote Similarity	0.6438	NPC143156
Remote Similarity	0.6433	NPC225018
Remote Similarity	0.6429	NPC471311
Remote Similarity	0.6429	NPC471313
Remote Similarity	0.6423	NPC213774
Remote Similarity	0.642	NPC469766
Remote Similarity	0.6415	NPC328029
Remote Similarity	0.6415	NPC216159
Remote Similarity	0.641	NPC69914
Remote Similarity	0.6407	NPC470233
Remote Similarity	0.6407	NPC470823
Remote Similarity	0.6402	NPC159856
Remote Similarity	0.6402	NPC314372
Remote Similarity	0.6398	NPC315348
Remote Similarity	0.6398	NPC32002
Remote Similarity	0.6398	NPC316811
Remote Similarity	0.638	NPC477977
Remote Similarity	0.6375	NPC125746
Remote Similarity	0.6369	NPC200214
Remote Similarity	0.6369	NPC324611
Remote Similarity	0.6369	NPC325903
Remote Similarity	0.6364	NPC288838
Remote Similarity	0.6358	NPC230002
Remote Similarity	0.6353	NPC236711
Remote Similarity	0.6325	NPC470111
Remote Similarity	0.6323	NPC306397
Remote Similarity	0.6322	NPC49217
Remote Similarity	0.6316	NPC329825
Remote Similarity	0.6303	NPC204141
Remote Similarity	0.6303	NPC285731
Remote Similarity	0.6303	NPC86288
Remote Similarity	0.6294	NPC476464
Remote Similarity	0.6282	NPC287895
Remote Similarity	0.6282	NPC313823
Remote Similarity	0.6273	NPC150259
Remote Similarity	0.6258	NPC75999
Remote Similarity	0.625	NPC53947
Remote Similarity	0.625	NPC198988
Remote Similarity	0.625	NPC105818
Remote Similarity	0.625	NPC24678
Remote Similarity	0.6243	NPC253687
Remote Similarity	0.6242	NPC148140
Remote Similarity	0.6241	NPC315403
Remote Similarity	0.6228	NPC105811
Remote Similarity	0.6221	NPC56765
Remote Similarity	0.622	NPC476454
Remote Similarity	0.6218	NPC212125
Remote Similarity	0.6211	NPC325252
Remote Similarity	0.6205	NPC467188
Remote Similarity	0.6203	NPC315320
Remote Similarity	0.62	NPC81561
Remote Similarity	0.6185	NPC44773
Remote Similarity	0.6185	NPC215584
Remote Similarity	0.6185	NPC279918
Remote Similarity	0.6182	NPC42483
Remote Similarity	0.6176	NPC259644
Remote Similarity	0.6176	NPC25008
Remote Similarity	0.6176	NPC469760
Remote Similarity	0.6176	NPC138842
Remote Similarity	0.6176	NPC469786
Remote Similarity	0.6176	NPC469765
Remote Similarity	0.6176	NPC73952
Remote Similarity	0.6176	NPC469763
Remote Similarity	0.6173	NPC65408
Remote Similarity	0.6171	NPC17751
Remote Similarity	0.6171	NPC280864
Remote Similarity	0.6163	NPC469762
Remote Similarity	0.6159	NPC54102
Remote Similarity	0.6159	NPC162689
Remote Similarity	0.6154	NPC40070
Remote Similarity	0.6149	NPC282231
Remote Similarity	0.614	NPC476219
Remote Similarity	0.614	NPC212376
Remote Similarity	0.614	NPC70922
Remote Similarity	0.614	NPC80597
Remote Similarity	0.614	NPC75540
Remote Similarity	0.614	NPC211572
Remote Similarity	0.614	NPC476297
Remote Similarity	0.6135	NPC104049
Remote Similarity	0.6131	NPC114209
Remote Similarity	0.6127	NPC474791
Remote Similarity	0.6127	NPC135141
Remote Similarity	0.6127	NPC92796
Remote Similarity	0.6125	NPC330326
Remote Similarity	0.6118	NPC70406
Remote Similarity	0.6115	NPC321053
Remote Similarity	0.6114	NPC317105
Remote Similarity	0.6114	NPC478184
Remote Similarity	0.6114	NPC90723
Remote Similarity	0.6111	NPC29702
Remote Similarity	0.6105	NPC469785
Remote Similarity	0.6101	NPC22079
Remote Similarity	0.6098	NPC88097
Remote Similarity	0.609	NPC151489
Remote Similarity	0.6087	NPC108011
Remote Similarity	0.6082	NPC141926
Remote Similarity	0.608	NPC274229
Remote Similarity	0.6078	NPC215519
Remote Similarity	0.6077	NPC248454
Remote Similarity	0.6074	NPC471312
Remote Similarity	0.6071	NPC316069
Remote Similarity	0.6069	NPC216643
Remote Similarity	0.6069	NPC286427
Remote Similarity	0.6069	NPC213914
Remote Similarity	0.6069	NPC129721
Remote Similarity	0.6067	NPC91895
Remote Similarity	0.6066	NPC307191
Remote Similarity	0.6061	NPC59084
Remote Similarity	0.6061	NPC2949
Remote Similarity	0.6047	NPC34844
Remote Similarity	0.6047	NPC209362
Remote Similarity	0.6045	NPC474561
Remote Similarity	0.6045	NPC54988
Remote Similarity	0.6045	NPC49954
Remote Similarity	0.6044	NPC265710
Remote Similarity	0.6034	NPC318065
Remote Similarity	0.6034	NPC293487
Remote Similarity	0.6034	NPC41257
Remote Similarity	0.6034	NPC206819
Remote Similarity	0.6034	NPC300238
Remote Similarity	0.6025	NPC322488
Remote Similarity	0.6024	NPC63157
Remote Similarity	0.6024	NPC473868
Remote Similarity	0.6023	NPC311276

Drug Structure

External Identifiers

TTD	DAP001200
DrugBank	DB00891
ChEMBL	CHEMBL700
IUPHAR/BPS
PharmaGKB	PA164779050
KEGG Drug	D02434
PubChem CID	5336
ChEBI	132842
CAS Number	144-83-2

Drug Properties

Molecular Weight	249.06
ALogP	-1.6864
MLogP	2.01
XLogP	1.676
HDA	5
HBD	2
Rotatable Bonds	4
TPSA	93.46
RO5 Violation	0