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 |
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.
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 |
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 |