NPASS drugs

Drug Information

Drug ID:	NPD838
Drug Name:	Tolbutamide
Molecular Formula:	C12H18N2O3S
Canonical SMILES:	CCCCN=C(NS(=O)(=O)c1ccc(cc1)C)O
Standard InCHI:	InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
Standard InCHIKey:	JLRGJRBPOGGCBT-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	TTD; ChEMBL; IUPHAR/BPS

Structural Similarity Between NPASS Natural Products and NPD838

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	71
0.1-0.2	2284
0.2-0.3	10953
0.3-0.4	14042
0.4-0.5	2970
0.5-0.6	496
0.6-0.7	66
0.7-0.8	7
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	1

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	1.0	NPC317400
Intermediate Similarity	0.7473	NPC35599
Intermediate Similarity	0.7473	NPC302129
Intermediate Similarity	0.7236	NPC32858
Intermediate Similarity	0.7236	NPC194857
Intermediate Similarity	0.7115	NPC471320
Intermediate Similarity	0.7115	NPC471319
Intermediate Similarity	0.7019	NPC108339
Remote Similarity	0.6774	NPC244738
Remote Similarity	0.6667	NPC471638
Remote Similarity	0.6667	NPC14326
Remote Similarity	0.6639	NPC476440
Remote Similarity	0.6634	NPC3210
Remote Similarity	0.6571	NPC245259
Remote Similarity	0.6526	NPC299134
Remote Similarity	0.6505	NPC473031
Remote Similarity	0.6476	NPC172128
Remote Similarity	0.6442	NPC12429
Remote Similarity	0.6421	NPC212463
Remote Similarity	0.6408	NPC203076
Remote Similarity	0.6396	NPC328793
Remote Similarity	0.6392	NPC139658
Remote Similarity	0.6389	NPC161972
Remote Similarity	0.6389	NPC303045
Remote Similarity	0.6383	NPC229235
Remote Similarity	0.6381	NPC470877
Remote Similarity	0.6354	NPC122327
Remote Similarity	0.6354	NPC112609
Remote Similarity	0.6354	NPC113000
Remote Similarity	0.6344	NPC181786
Remote Similarity	0.633	NPC25565
Remote Similarity	0.6321	NPC78041
Remote Similarity	0.6321	NPC121872
Remote Similarity	0.6321	NPC141139
Remote Similarity	0.6321	NPC471307
Remote Similarity	0.6321	NPC209764
Remote Similarity	0.6321	NPC159178
Remote Similarity	0.6321	NPC74936
Remote Similarity	0.6303	NPC476048
Remote Similarity	0.63	NPC475573
Remote Similarity	0.63	NPC475289
Remote Similarity	0.6289	NPC276699
Remote Similarity	0.6275	NPC474088
Remote Similarity	0.6273	NPC475439
Remote Similarity	0.6273	NPC473501
Remote Similarity	0.6263	NPC12857
Remote Similarity	0.6262	NPC226438
Remote Similarity	0.6239	NPC58674
Remote Similarity	0.623	NPC254088
Remote Similarity	0.6224	NPC271642
Remote Similarity	0.6211	NPC219246
Remote Similarity	0.6162	NPC98269
Remote Similarity	0.6162	NPC325662
Remote Similarity	0.6162	NPC290638
Remote Similarity	0.6147	NPC7067
Remote Similarity	0.6147	NPC471309
Remote Similarity	0.6139	NPC192623
Remote Similarity	0.6139	NPC309279
Remote Similarity	0.6134	NPC181390
Remote Similarity	0.6134	NPC475013
Remote Similarity	0.6132	NPC325441
Remote Similarity	0.6126	NPC33168
Remote Similarity	0.6126	NPC311242
Remote Similarity	0.6122	NPC98976
Remote Similarity	0.6121	NPC327481
Remote Similarity	0.6075	NPC315403
Remote Similarity	0.6055	NPC473661
Remote Similarity	0.6038	NPC53492
Remote Similarity	0.6038	NPC198747
Remote Similarity	0.6034	NPC143516
Remote Similarity	0.6019	NPC258627
Remote Similarity	0.6019	NPC316108
Remote Similarity	0.6	NPC164859
Remote Similarity	0.6	NPC469330
Remote Similarity	0.5983	NPC474973
Remote Similarity	0.5983	NPC474804
Remote Similarity	0.5983	NPC130898
Remote Similarity	0.5981	NPC262393
Remote Similarity	0.5979	NPC121708
Remote Similarity	0.5979	NPC125144
Remote Similarity	0.5962	NPC119677
Remote Similarity	0.5955	NPC269586
Remote Similarity	0.5948	NPC88267
Remote Similarity	0.5948	NPC113326
Remote Similarity	0.5948	NPC194390
Remote Similarity	0.5948	NPC224610
Remote Similarity	0.5922	NPC231986
Remote Similarity	0.5913	NPC329375
Remote Similarity	0.5909	NPC265521
Remote Similarity	0.5905	NPC169016
Remote Similarity	0.5905	NPC133162
Remote Similarity	0.5895	NPC52330
Remote Similarity	0.5889	NPC120441
Remote Similarity	0.5889	NPC300345
Remote Similarity	0.5889	NPC65873
Remote Similarity	0.5889	NPC212114
Remote Similarity	0.5882	NPC473676
Remote Similarity	0.5877	NPC12730
Remote Similarity	0.5872	NPC78154
Remote Similarity	0.587	NPC210849
Remote Similarity	0.587	NPC45255
Remote Similarity	0.5862	NPC474430
Remote Similarity	0.5862	NPC471317
Remote Similarity	0.5862	NPC202613
Remote Similarity	0.5856	NPC322040
Remote Similarity	0.5855	NPC208280
Remote Similarity	0.5847	NPC45033
Remote Similarity	0.5847	NPC471447
Remote Similarity	0.5843	NPC277704
Remote Similarity	0.5843	NPC149436
Remote Similarity	0.5833	NPC78954
Remote Similarity	0.5833	NPC239931
Remote Similarity	0.5833	NPC82770
Remote Similarity	0.5826	NPC469457
Remote Similarity	0.5824	NPC8235
Remote Similarity	0.582	NPC474584
Remote Similarity	0.5816	NPC155429
Remote Similarity	0.5812	NPC275467
Remote Similarity	0.5812	NPC469974
Remote Similarity	0.5789	NPC36440
Remote Similarity	0.5785	NPC319579
Remote Similarity	0.5781	NPC273830
Remote Similarity	0.5778	NPC198841
Remote Similarity	0.5761	NPC147062
Remote Similarity	0.5761	NPC169110
Remote Similarity	0.5752	NPC3371
Remote Similarity	0.5745	NPC50266
Remote Similarity	0.5741	NPC17497
Remote Similarity	0.5741	NPC60408
Remote Similarity	0.5741	NPC305602
Remote Similarity	0.5738	NPC329011
Remote Similarity	0.5728	NPC469894
Remote Similarity	0.5726	NPC471310
Remote Similarity	0.5726	NPC178902
Remote Similarity	0.5714	NPC71140
Remote Similarity	0.5714	NPC300455
Remote Similarity	0.5714	NPC231705
Remote Similarity	0.5714	NPC474974
Remote Similarity	0.5702	NPC324569
Remote Similarity	0.5702	NPC293628
Remote Similarity	0.5702	NPC472258
Remote Similarity	0.5702	NPC472788
Remote Similarity	0.5702	NPC122493
Remote Similarity	0.5702	NPC10781
Remote Similarity	0.5699	NPC310758
Remote Similarity	0.5699	NPC54368
Remote Similarity	0.5699	NPC150196
Remote Similarity	0.5699	NPC248705
Remote Similarity	0.5699	NPC238023
Remote Similarity	0.5699	NPC135924
Remote Similarity	0.5684	NPC155172
Remote Similarity	0.5684	NPC198023
Remote Similarity	0.5684	NPC32312
Remote Similarity	0.5682	NPC477937
Remote Similarity	0.568	NPC197470
Remote Similarity	0.567	NPC311343
Remote Similarity	0.5667	NPC142297
Remote Similarity	0.5664	NPC215351
Remote Similarity	0.5664	NPC20142
Remote Similarity	0.566	NPC146703
Remote Similarity	0.566	NPC104070
Remote Similarity	0.5657	NPC208302
Remote Similarity	0.5652	NPC226096
Remote Similarity	0.5652	NPC108606
Remote Similarity	0.5652	NPC164514
Remote Similarity	0.5652	NPC303611
Remote Similarity	0.5652	NPC36357
Remote Similarity	0.5652	NPC64270
Remote Similarity	0.5652	NPC290515
Remote Similarity	0.5652	NPC114327
Remote Similarity	0.5648	NPC258046
Remote Similarity	0.5644	NPC206800
Remote Similarity	0.5644	NPC189371
Remote Similarity	0.5644	NPC32203
Remote Similarity	0.5641	NPC318154
Remote Similarity	0.5641	NPC327226
Remote Similarity	0.5638	NPC29680
Remote Similarity	0.5638	NPC22786
Remote Similarity	0.5636	NPC107135
Remote Similarity	0.5635	NPC2265
Remote Similarity	0.5631	NPC50192
Remote Similarity	0.563	NPC67043
Remote Similarity	0.563	NPC211551
Remote Similarity	0.5625	NPC178527
Remote Similarity	0.5619	NPC242628
Remote Similarity	0.5612	NPC98880
Remote Similarity	0.5612	NPC200936
Remote Similarity	0.5612	NPC5324

Drug Structure

External Identifiers

TTD	DAP000136
DrugBank	DB01124
ChEMBL	CHEMBL782
IUPHAR/BPS	6848
PharmaGKB	PA451718
KEGG Drug	D00380
PubChem CID	5505
ChEBI	27999
CAS Number	64-77-7

Drug Properties

Molecular Weight	270.10
ALogP	-0.595
MLogP	2.12
XLogP	3.36
HDA	5
HBD	2
Rotatable Bonds	9
TPSA	87.14
RO5 Violation	0