Drug Information

Drug ID:  NPD8961
Drug Name:  Sodium Gluconate
Molecular Formula:  C6H10O7.Na
Canonical SMILES:  O[C@H]1O[C@H](C(=O)[O-])[C@H]([C@@H]([C@H]1O)O)O.[Na+]
Standard InCHI:  InChI=1S/C6H10O7.Na/c7-1-2(8)4(5(10)11)13-6(12)3(1)9;/h1-4,6-9,12H,(H,10,11);/q;+1/p-1/t1-,2-,3+,4-,6-;/m0./s1
Standard InCHIKey:  MSXHSNHNTORCAW-GGLLEASOSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8961

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 1.0 NPC317651
High Similarity 1.0 NPC258690
High Similarity 0.9138 NPC220922
High Similarity 0.9048 NPC32148
High Similarity 0.85 NPC293692
Intermediate Similarity 0.8276 NPC277878
Intermediate Similarity 0.8136 NPC196612
Intermediate Similarity 0.7846 NPC268243
Intermediate Similarity 0.7778 NPC320032
Intermediate Similarity 0.7576 NPC325773
Intermediate Similarity 0.75 NPC322855
Intermediate Similarity 0.7385 NPC323945
Intermediate Similarity 0.7353 NPC76881
Intermediate Similarity 0.7353 NPC12040
Intermediate Similarity 0.7288 NPC247546
Intermediate Similarity 0.7288 NPC172086
Intermediate Similarity 0.7273 NPC320296
Intermediate Similarity 0.7241 NPC285364
Intermediate Similarity 0.7241 NPC73906
Intermediate Similarity 0.7241 NPC289758
Intermediate Similarity 0.7241 NPC69445
Intermediate Similarity 0.7241 NPC199857
Intermediate Similarity 0.7241 NPC92246
Intermediate Similarity 0.7241 NPC165846
Intermediate Similarity 0.7241 NPC21209
Intermediate Similarity 0.7241 NPC255377
Intermediate Similarity 0.7241 NPC176017
Intermediate Similarity 0.7167 NPC46254
Intermediate Similarity 0.7143 NPC206601
Intermediate Similarity 0.7119 NPC277475
Intermediate Similarity 0.7119 NPC321087
Intermediate Similarity 0.7042 NPC97736
Intermediate Similarity 0.7042 NPC250619
Intermediate Similarity 0.7042 NPC50228
Intermediate Similarity 0.7 NPC14144
Remote Similarity 0.6944 NPC241265
Remote Similarity 0.6944 NPC211428
Remote Similarity 0.6944 NPC285003
Remote Similarity 0.6897 NPC70756
Remote Similarity 0.6897 NPC320240
Remote Similarity 0.6885 NPC42503
Remote Similarity 0.6885 NPC282143
Remote Similarity 0.6885 NPC299781
Remote Similarity 0.6885 NPC157193
Remote Similarity 0.6818 NPC61567
Remote Similarity 0.678 NPC242655
Remote Similarity 0.678 NPC38891
Remote Similarity 0.6774 NPC323574
Remote Similarity 0.6757 NPC185419
Remote Similarity 0.6757 NPC184550
Remote Similarity 0.6724 NPC213159
Remote Similarity 0.6724 NPC86191
Remote Similarity 0.6724 NPC298699
Remote Similarity 0.6724 NPC134252
Remote Similarity 0.6724 NPC317182
Remote Similarity 0.6724 NPC291502
Remote Similarity 0.6719 NPC19676
Remote Similarity 0.6719 NPC323401
Remote Similarity 0.6667 NPC225748
Remote Similarity 0.6667 NPC124963
Remote Similarity 0.6667 NPC23134
Remote Similarity 0.6667 NPC326533
Remote Similarity 0.6667 NPC198377
Remote Similarity 0.6667 NPC206823
Remote Similarity 0.6667 NPC233726
Remote Similarity 0.6667 NPC163812
Remote Similarity 0.6667 NPC9763
Remote Similarity 0.6667 NPC308096
Remote Similarity 0.6667 NPC169085
Remote Similarity 0.6667 NPC291228
Remote Similarity 0.6667 NPC39266
Remote Similarity 0.6618 NPC17935
Remote Similarity 0.6615 NPC6883
Remote Similarity 0.6552 NPC35661
Remote Similarity 0.65 NPC270088
Remote Similarity 0.6471 NPC179624
Remote Similarity 0.6462 NPC269166
Remote Similarity 0.6462 NPC67660
Remote Similarity 0.6462 NPC65985
Remote Similarity 0.6462 NPC107914
Remote Similarity 0.6462 NPC246558
Remote Similarity 0.6462 NPC130683
Remote Similarity 0.6462 NPC89145
Remote Similarity 0.6462 NPC317626
Remote Similarity 0.6462 NPC165198
Remote Similarity 0.6462 NPC314821
Remote Similarity 0.6462 NPC242073
Remote Similarity 0.6462 NPC323361
Remote Similarity 0.6462 NPC317501
Remote Similarity 0.6462 NPC145112
Remote Similarity 0.6462 NPC58629
Remote Similarity 0.6462 NPC157514
Remote Similarity 0.6441 NPC228782
Remote Similarity 0.6441 NPC259982
Remote Similarity 0.6441 NPC313565
Remote Similarity 0.6438 NPC57788
Remote Similarity 0.6438 NPC53879
Remote Similarity 0.642 NPC476087
Remote Similarity 0.642 NPC475270
Remote Similarity 0.642 NPC477347
Remote Similarity 0.642 NPC173328
Remote Similarity 0.642 NPC238056
Remote Similarity 0.642 NPC297768
Remote Similarity 0.642 NPC475667
Remote Similarity 0.642 NPC475327
Remote Similarity 0.642 NPC186992
Remote Similarity 0.642 NPC269318
Remote Similarity 0.6418 NPC3547
Remote Similarity 0.641 NPC477350
Remote Similarity 0.6389 NPC471760
Remote Similarity 0.6389 NPC471761
Remote Similarity 0.6389 NPC190418
Remote Similarity 0.6379 NPC266553
Remote Similarity 0.6364 NPC125164
Remote Similarity 0.6364 NPC303727
Remote Similarity 0.6333 NPC29721
Remote Similarity 0.6329 NPC476781
Remote Similarity 0.6329 NPC476782
Remote Similarity 0.6329 NPC216883
Remote Similarity 0.6329 NPC110813
Remote Similarity 0.6329 NPC474003
Remote Similarity 0.6329 NPC476783
Remote Similarity 0.6316 NPC96322
Remote Similarity 0.6304 NPC324667
Remote Similarity 0.6282 NPC473948
Remote Similarity 0.6271 NPC19044
Remote Similarity 0.6271 NPC100742
Remote Similarity 0.6271 NPC192402
Remote Similarity 0.6271 NPC97444
Remote Similarity 0.6271 NPC24751
Remote Similarity 0.6271 NPC121018
Remote Similarity 0.6269 NPC68743
Remote Similarity 0.6269 NPC60830
Remote Similarity 0.6265 NPC60849
Remote Similarity 0.6265 NPC472352
Remote Similarity 0.6265 NPC477332
Remote Similarity 0.625 NPC477323
Remote Similarity 0.625 NPC109887
Remote Similarity 0.625 NPC477326
Remote Similarity 0.625 NPC475425
Remote Similarity 0.625 NPC113745
Remote Similarity 0.625 NPC477325
Remote Similarity 0.625 NPC477320
Remote Similarity 0.625 NPC281563
Remote Similarity 0.625 NPC477329
Remote Similarity 0.625 NPC477330
Remote Similarity 0.625 NPC133377
Remote Similarity 0.625 NPC477328
Remote Similarity 0.625 NPC146380
Remote Similarity 0.6176 NPC148424
Remote Similarity 0.6173 NPC477346
Remote Similarity 0.6173 NPC146992
Remote Similarity 0.6173 NPC85759
Remote Similarity 0.6173 NPC294748
Remote Similarity 0.6173 NPC158302
Remote Similarity 0.6173 NPC22742
Remote Similarity 0.6173 NPC477344
Remote Similarity 0.6167 NPC320189
Remote Similarity 0.6133 NPC67099
Remote Similarity 0.6119 NPC469937
Remote Similarity 0.6119 NPC23155
Remote Similarity 0.6119 NPC320588
Remote Similarity 0.6119 NPC53463
Remote Similarity 0.6098 NPC267592
Remote Similarity 0.6094 NPC293378
Remote Similarity 0.6087 NPC219040
Remote Similarity 0.6087 NPC472025
Remote Similarity 0.6047 NPC470657
Remote Similarity 0.6032 NPC252918
Remote Similarity 0.6032 NPC230789
Remote Similarity 0.6024 NPC472202
Remote Similarity 0.6024 NPC89843
Remote Similarity 0.6024 NPC236649
Remote Similarity 0.6024 NPC477331
Remote Similarity 0.6024 NPC183888
Remote Similarity 0.6024 NPC224953
Remote Similarity 0.6024 NPC143421
Remote Similarity 0.6024 NPC477319
Remote Similarity 0.6024 NPC472203
Remote Similarity 0.6024 NPC472204
Remote Similarity 0.6024 NPC307400
Remote Similarity 0.6024 NPC290012
Remote Similarity 0.6024 NPC184915
Remote Similarity 0.6024 NPC472200
Remote Similarity 0.6024 NPC115013
Remote Similarity 0.6024 NPC472205
Remote Similarity 0.6024 NPC477318
Remote Similarity 0.6024 NPC477317
Remote Similarity 0.6024 NPC126685
Remote Similarity 0.6024 NPC44782
Remote Similarity 0.6024 NPC472201
Remote Similarity 0.6024 NPC21693
Remote Similarity 0.6024 NPC123204
Remote Similarity 0.6024 NPC259294
Remote Similarity 0.6024 NPC169345
Remote Similarity 0.6024 NPC119583
Remote Similarity 0.6024 NPC27289
Remote Similarity 0.6 NPC290179
Remote Similarity 0.6 NPC34877
Remote Similarity 0.6 NPC469925

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  193.03
ALogP  -3.089
MLogP  1.35
XLogP  -2.45
HDA  7
HBD  4
Rotatable Bonds  6
TPSA  130.28
RO5 Violation  0