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 |
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 | 0.8696 | 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 |
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 |