Drug Information

Drug ID:  NPD837
Drug Name:  Tolbutamide Sodium, Sterile
Molecular Formula:  C12H18N2O3S.Na
Canonical SMILES:  CCCCN=C(NS(=O)(=O)c1ccc(cc1)C)[O-].[Na+]
Standard InCHI:  InChI=1S/C12H18N2O3S.Na/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);/q;+1/p-1
Standard InCHIKey:  QKHDBRQBSNZFAK-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD837

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.


  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 0.9775 NPC317400
Intermediate Similarity 0.764 NPC35599
Intermediate Similarity 0.764 NPC302129
Intermediate Similarity 0.7073 NPC32858
Intermediate Similarity 0.7073 NPC194857
Remote Similarity 0.6923 NPC471320
Remote Similarity 0.6923 NPC244738
Remote Similarity 0.6923 NPC471319
Remote Similarity 0.6827 NPC108339
Remote Similarity 0.6752 NPC476440
Remote Similarity 0.6667 NPC299134
Remote Similarity 0.6559 NPC212463
Remote Similarity 0.6526 NPC139658
Remote Similarity 0.6522 NPC229235
Remote Similarity 0.6489 NPC113000
Remote Similarity 0.6489 NPC112609
Remote Similarity 0.6489 NPC122327
Remote Similarity 0.6484 NPC181786
Remote Similarity 0.6471 NPC471638
Remote Similarity 0.6465 NPC14326
Remote Similarity 0.6436 NPC3210
Remote Similarity 0.6429 NPC475289
Remote Similarity 0.6429 NPC475573
Remote Similarity 0.6421 NPC276699
Remote Similarity 0.64 NPC474088
Remote Similarity 0.6392 NPC12857
Remote Similarity 0.6381 NPC245259
Remote Similarity 0.6354 NPC271642
Remote Similarity 0.6344 NPC219246
Remote Similarity 0.6311 NPC473031
Remote Similarity 0.6289 NPC98269
Remote Similarity 0.6289 NPC290638
Remote Similarity 0.6289 NPC325662
Remote Similarity 0.6286 NPC172128
Remote Similarity 0.6262 NPC7067
Remote Similarity 0.625 NPC98976
Remote Similarity 0.625 NPC12429
Remote Similarity 0.6239 NPC181390
Remote Similarity 0.6216 NPC328793
Remote Similarity 0.6214 NPC203076
Remote Similarity 0.6204 NPC303045
Remote Similarity 0.6204 NPC161972
Remote Similarity 0.619 NPC315403
Remote Similarity 0.619 NPC470877
Remote Similarity 0.6168 NPC473661
Remote Similarity 0.6154 NPC53492
Remote Similarity 0.6147 NPC25565
Remote Similarity 0.6134 NPC476048
Remote Similarity 0.6132 NPC121872
Remote Similarity 0.6132 NPC159178
Remote Similarity 0.6132 NPC141139
Remote Similarity 0.6132 NPC471307
Remote Similarity 0.6132 NPC78041
Remote Similarity 0.6132 NPC74936
Remote Similarity 0.6132 NPC209764
Remote Similarity 0.6111 NPC469330
Remote Similarity 0.6092 NPC269586
Remote Similarity 0.6091 NPC475439
Remote Similarity 0.6091 NPC473501
Remote Similarity 0.6078 NPC119677
Remote Similarity 0.6075 NPC226438
Remote Similarity 0.6066 NPC254088
Remote Similarity 0.6055 NPC58674
Remote Similarity 0.604 NPC231986
Remote Similarity 0.6023 NPC120441
Remote Similarity 0.6023 NPC212114
Remote Similarity 0.6023 NPC300345
Remote Similarity 0.6023 NPC65873
Remote Similarity 0.6022 NPC52330
Remote Similarity 0.6019 NPC133162
Remote Similarity 0.6019 NPC169016
Remote Similarity 0.6 NPC210849
Remote Similarity 0.6 NPC45255
Remote Similarity 0.5977 NPC149436
Remote Similarity 0.5977 NPC277704
Remote Similarity 0.5966 NPC475013
Remote Similarity 0.5963 NPC322040
Remote Similarity 0.5963 NPC471309
Remote Similarity 0.5955 NPC8235
Remote Similarity 0.5948 NPC327481
Remote Similarity 0.5946 NPC33168
Remote Similarity 0.5946 NPC311242
Remote Similarity 0.5943 NPC325441
Remote Similarity 0.5941 NPC309279
Remote Similarity 0.5941 NPC192623
Remote Similarity 0.5938 NPC125144
Remote Similarity 0.5938 NPC121708
Remote Similarity 0.5914 NPC36440
Remote Similarity 0.5913 NPC469974
Remote Similarity 0.5913 NPC275467
Remote Similarity 0.5909 NPC198841
Remote Similarity 0.5889 NPC169110
Remote Similarity 0.5889 NPC147062
Remote Similarity 0.587 NPC50266
Remote Similarity 0.5862 NPC143516
Remote Similarity 0.5849 NPC60408
Remote Similarity 0.5849 NPC198747
Remote Similarity 0.5849 NPC17497
Remote Similarity 0.5849 NPC305602
Remote Similarity 0.5833 NPC316108
Remote Similarity 0.5833 NPC258627
Remote Similarity 0.5826 NPC164859
Remote Similarity 0.5824 NPC135924
Remote Similarity 0.5824 NPC150196
Remote Similarity 0.5824 NPC310758
Remote Similarity 0.5824 NPC54368
Remote Similarity 0.5824 NPC248705
Remote Similarity 0.5824 NPC238023
Remote Similarity 0.5818 NPC71140
Remote Similarity 0.5818 NPC474974
Remote Similarity 0.5812 NPC474804
Remote Similarity 0.5812 NPC130898
Remote Similarity 0.5812 NPC474973
Remote Similarity 0.5806 NPC155172
Remote Similarity 0.5806 NPC32312
Remote Similarity 0.5806 NPC198023
Remote Similarity 0.5804 NPC472258
Remote Similarity 0.5794 NPC262393
Remote Similarity 0.5789 NPC311343
Remote Similarity 0.5778 NPC114327
Remote Similarity 0.5778 NPC36357
Remote Similarity 0.5778 NPC64270
Remote Similarity 0.5776 NPC88267
Remote Similarity 0.5776 NPC194390
Remote Similarity 0.5776 NPC113326
Remote Similarity 0.5776 NPC224610
Remote Similarity 0.5769 NPC104070
Remote Similarity 0.5761 NPC22786
Remote Similarity 0.5761 NPC29680
Remote Similarity 0.5755 NPC258046
Remote Similarity 0.5745 NPC178527
Remote Similarity 0.5739 NPC329375
Remote Similarity 0.5729 NPC5324
Remote Similarity 0.5729 NPC98880
Remote Similarity 0.5729 NPC200936
Remote Similarity 0.5727 NPC265521
Remote Similarity 0.5724 NPC208280
Remote Similarity 0.5714 NPC473676
Remote Similarity 0.5702 NPC12730
Remote Similarity 0.5701 NPC43655
Remote Similarity 0.5699 NPC45756
Remote Similarity 0.5699 NPC88566
Remote Similarity 0.569 NPC202613
Remote Similarity 0.569 NPC471317
Remote Similarity 0.569 NPC474430
Remote Similarity 0.5688 NPC78154
Remote Similarity 0.5678 NPC45033
Remote Similarity 0.5678 NPC471447
Remote Similarity 0.5676 NPC246757
Remote Similarity 0.5676 NPC291070
Remote Similarity 0.567 NPC95289
Remote Similarity 0.5667 NPC469807
Remote Similarity 0.5656 NPC474584
Remote Similarity 0.5652 NPC469457
Remote Similarity 0.5652 NPC246588
Remote Similarity 0.5625 NPC273830
Remote Similarity 0.5625 NPC78954
Remote Similarity 0.5625 NPC82770
Remote Similarity 0.5625 NPC239931
Remote Similarity 0.562 NPC319579
Remote Similarity 0.5614 NPC322598
Remote Similarity 0.5612 NPC326200
Remote Similarity 0.5612 NPC155429
Remote Similarity 0.5612 NPC74458

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  269.10
ALogP  -1.2728
MLogP  2.12
XLogP  3.36
HDA  5
HBD  1
Rotatable Bonds  9
TPSA  89.97
RO5 Violation  0