Drug Information

Drug ID:  NPD8615
Drug Name:  Sodium Butyrate
Molecular Formula:  C4H8O2.Na
Canonical SMILES:  [O-]C(=O)CCC.[Na+]
Standard InCHI:  InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1
Standard InCHIKey:  MFBOGIVSZKQAPD-UHFFFAOYSA-M
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8615

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 0.8696 NPC28246
Intermediate Similarity 0.8333 NPC149209
Intermediate Similarity 0.8 NPC143211
Intermediate Similarity 0.7826 NPC8187
Intermediate Similarity 0.7826 NPC203105
Intermediate Similarity 0.76 NPC166804
Intermediate Similarity 0.7407 NPC180423
Intermediate Similarity 0.7407 NPC248139
Intermediate Similarity 0.7407 NPC174368
Intermediate Similarity 0.7407 NPC122768
Intermediate Similarity 0.7407 NPC151140
Intermediate Similarity 0.7407 NPC292641
Intermediate Similarity 0.7407 NPC61066
Intermediate Similarity 0.7407 NPC104195
Intermediate Similarity 0.7391 NPC181153
Intermediate Similarity 0.7308 NPC283626
Intermediate Similarity 0.7273 NPC37493
Intermediate Similarity 0.72 NPC41485
Intermediate Similarity 0.72 NPC32280
Intermediate Similarity 0.72 NPC3693
Intermediate Similarity 0.7143 NPC21374
Intermediate Similarity 0.7143 NPC302611
Intermediate Similarity 0.7143 NPC320981
Intermediate Similarity 0.7037 NPC236709
Intermediate Similarity 0.7037 NPC234005
Remote Similarity 0.6957 NPC260610
Remote Similarity 0.6923 NPC211250
Remote Similarity 0.6923 NPC314668
Remote Similarity 0.6923 NPC230726
Remote Similarity 0.6897 NPC12904
Remote Similarity 0.6897 NPC280532
Remote Similarity 0.6818 NPC68873
Remote Similarity 0.6818 NPC137050
Remote Similarity 0.6818 NPC283245
Remote Similarity 0.6818 NPC171188
Remote Similarity 0.68 NPC110107
Remote Similarity 0.6667 NPC168714
Remote Similarity 0.6667 NPC108238
Remote Similarity 0.6667 NPC41007
Remote Similarity 0.6667 NPC222945
Remote Similarity 0.6667 NPC248233
Remote Similarity 0.6667 NPC175342
Remote Similarity 0.6667 NPC217218
Remote Similarity 0.6667 NPC286695
Remote Similarity 0.6667 NPC178643
Remote Similarity 0.6667 NPC35371
Remote Similarity 0.6552 NPC198126
Remote Similarity 0.6452 NPC127142
Remote Similarity 0.6452 NPC307027
Remote Similarity 0.6452 NPC57499
Remote Similarity 0.6452 NPC7814
Remote Similarity 0.6452 NPC154396
Remote Similarity 0.6429 NPC317739
Remote Similarity 0.6429 NPC55956
Remote Similarity 0.6429 NPC281943
Remote Similarity 0.64 NPC185768
Remote Similarity 0.64 NPC33928
Remote Similarity 0.64 NPC23508
Remote Similarity 0.6296 NPC127134
Remote Similarity 0.6296 NPC201132
Remote Similarity 0.6296 NPC286233
Remote Similarity 0.625 NPC191084
Remote Similarity 0.625 NPC250870
Remote Similarity 0.625 NPC156630
Remote Similarity 0.625 NPC316685
Remote Similarity 0.625 NPC168052
Remote Similarity 0.625 NPC141986
Remote Similarity 0.6207 NPC127696
Remote Similarity 0.6154 NPC8368
Remote Similarity 0.6154 NPC30338
Remote Similarity 0.6129 NPC328710
Remote Similarity 0.6129 NPC18224
Remote Similarity 0.6129 NPC322892
Remote Similarity 0.6129 NPC99700
Remote Similarity 0.6129 NPC125575
Remote Similarity 0.6087 NPC211453
Remote Similarity 0.6061 NPC154642
Remote Similarity 0.6061 NPC229838
Remote Similarity 0.6061 NPC80396
Remote Similarity 0.6061 NPC155263
Remote Similarity 0.6061 NPC5505
Remote Similarity 0.6061 NPC80641
Remote Similarity 0.6061 NPC321699
Remote Similarity 0.6 NPC37479
Remote Similarity 0.6 NPC265882
Remote Similarity 0.6 NPC5934
Remote Similarity 0.6 NPC32603
Remote Similarity 0.6 NPC241404
Remote Similarity 0.5882 NPC109026
Remote Similarity 0.5882 NPC317945
Remote Similarity 0.5882 NPC206924
Remote Similarity 0.5882 NPC252843
Remote Similarity 0.5882 NPC14608
Remote Similarity 0.5882 NPC158179
Remote Similarity 0.5862 NPC88135
Remote Similarity 0.5833 NPC147212
Remote Similarity 0.5806 NPC40965
Remote Similarity 0.5806 NPC212144
Remote Similarity 0.5806 NPC328569
Remote Similarity 0.5769 NPC208021
Remote Similarity 0.5758 NPC317203
Remote Similarity 0.5758 NPC289344
Remote Similarity 0.5758 NPC155872
Remote Similarity 0.5714 NPC79591
Remote Similarity 0.5714 NPC325454
Remote Similarity 0.5714 NPC305660
Remote Similarity 0.5714 NPC73245
Remote Similarity 0.5714 NPC22903
Remote Similarity 0.5714 NPC201622
Remote Similarity 0.5714 NPC54980
Remote Similarity 0.5714 NPC259649
Remote Similarity 0.5714 NPC38930
Remote Similarity 0.5714 NPC3343
Remote Similarity 0.5625 NPC14778

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  87.04
ALogP  -1.1195
MLogP  1.68
XLogP  0.261
HDA  2
HBD  0
Rotatable Bonds  4
TPSA  40.13
RO5 Violation  0