Drug Information

Drug ID:  NPD8200
Drug Name:  Sodium Propionate
Molecular Formula:  C3H6O2.Na
Canonical SMILES:  [O-]C(=O)CC.[Na+]
Standard InCHI:  InChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
Standard InCHIKey:  JXKPEJDQGNYQSM-UHFFFAOYSA-M
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8200

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 0.85 NPC181153
Intermediate Similarity 0.8095 NPC8187
Intermediate Similarity 0.8095 NPC203105
Intermediate Similarity 0.7895 NPC283245
Intermediate Similarity 0.7895 NPC68873
Intermediate Similarity 0.7895 NPC137050
Intermediate Similarity 0.75 NPC37493
Intermediate Similarity 0.7391 NPC28246
Intermediate Similarity 0.7391 NPC32280
Intermediate Similarity 0.7391 NPC41485
Intermediate Similarity 0.7143 NPC260610
Intermediate Similarity 0.7083 NPC314668
Intermediate Similarity 0.7083 NPC149209
Intermediate Similarity 0.7083 NPC230726
Intermediate Similarity 0.7083 NPC286233
Intermediate Similarity 0.7083 NPC211250
Intermediate Similarity 0.7083 NPC166804
Intermediate Similarity 0.7 NPC171188
Remote Similarity 0.6957 NPC110107
Remote Similarity 0.68 NPC143211
Remote Similarity 0.6667 NPC3693
Remote Similarity 0.6538 NPC55956
Remote Similarity 0.6522 NPC23508
Remote Similarity 0.64 NPC201132
Remote Similarity 0.64 NPC3343
Remote Similarity 0.64 NPC127134
Remote Similarity 0.6316 NPC200333
Remote Similarity 0.6296 NPC174368
Remote Similarity 0.6296 NPC180423
Remote Similarity 0.6296 NPC61066
Remote Similarity 0.6296 NPC104195
Remote Similarity 0.6296 NPC292641
Remote Similarity 0.6296 NPC127696
Remote Similarity 0.6296 NPC248139
Remote Similarity 0.6296 NPC151140
Remote Similarity 0.6296 NPC122768
Remote Similarity 0.619 NPC1502
Remote Similarity 0.619 NPC211453
Remote Similarity 0.619 NPC7922
Remote Similarity 0.6154 NPC283626
Remote Similarity 0.6154 NPC248233
Remote Similarity 0.6154 NPC320704
Remote Similarity 0.6087 NPC222945
Remote Similarity 0.6071 NPC5934
Remote Similarity 0.6071 NPC320981
Remote Similarity 0.6071 NPC21374
Remote Similarity 0.6071 NPC302611
Remote Similarity 0.6071 NPC265882
Remote Similarity 0.6071 NPC241404
Remote Similarity 0.5926 NPC236709
Remote Similarity 0.5926 NPC234005
Remote Similarity 0.5926 NPC88135
Remote Similarity 0.5926 NPC317739
Remote Similarity 0.5926 NPC281943
Remote Similarity 0.5909 NPC147212
Remote Similarity 0.5909 NPC173862
Remote Similarity 0.5909 NPC237869
Remote Similarity 0.5862 NPC280532
Remote Similarity 0.5862 NPC212144
Remote Similarity 0.5862 NPC12904
Remote Similarity 0.5862 NPC328569
Remote Similarity 0.5862 NPC307739
Remote Similarity 0.5862 NPC76217
Remote Similarity 0.5833 NPC185768
Remote Similarity 0.5833 NPC33928
Remote Similarity 0.5833 NPC208021
Remote Similarity 0.5667 NPC108238
Remote Similarity 0.5667 NPC168714
Remote Similarity 0.5667 NPC286695
Remote Similarity 0.5667 NPC178643
Remote Similarity 0.5667 NPC14778
Remote Similarity 0.5667 NPC217218
Remote Similarity 0.5667 NPC175342
Remote Similarity 0.5667 NPC322892
Remote Similarity 0.5667 NPC35371
Remote Similarity 0.5667 NPC41007
Remote Similarity 0.5652 NPC141986
Remote Similarity 0.56 NPC30338
Remote Similarity 0.56 NPC8368

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  73.03
ALogP  -0.8315
MLogP  1.57
XLogP  -0.308
HDA  2
HBD  0
Rotatable Bonds  3
TPSA  40.13
RO5 Violation  0