Drug ID:   | NPD8618 |
Drug Name:   | Gamma-hydroxybutyric acid; Oxybate |
Molecular Formula:   | C4H8O3 |
Canonical SMILES:   | OCCCC(=O)O |
Standard InCHI:   | InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7) |
Standard InCHIKey:   | SJZRECIVHVDYJC-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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 | 1.0 | NPC198126 |
High Similarity | 0.875 | NPC316685 |
Intermediate Similarity | 0.8 | NPC236709 |
Intermediate Similarity | 0.7931 | NPC149209 |
Intermediate Similarity | 0.7647 | NPC317203 |
Intermediate Similarity | 0.7647 | NPC168052 |
Intermediate Similarity | 0.7647 | NPC250870 |
Intermediate Similarity | 0.7647 | NPC191084 |
Intermediate Similarity | 0.7429 | NPC5505 |
Intermediate Similarity | 0.7368 | NPC35661 |
Intermediate Similarity | 0.7188 | NPC61066 |
Intermediate Similarity | 0.7188 | NPC122768 |
Intermediate Similarity | 0.7188 | NPC104195 |
Intermediate Similarity | 0.7188 | NPC151140 |
Intermediate Similarity | 0.7188 | NPC174368 |
Intermediate Similarity | 0.7188 | NPC180423 |
Intermediate Similarity | 0.7143 | NPC219266 |
Intermediate Similarity | 0.7097 | NPC143211 |
Intermediate Similarity | 0.7059 | NPC108238 |
Intermediate Similarity | 0.7 | NPC28246 |
Remote Similarity | 0.6923 | NPC97444 |
Remote Similarity | 0.6923 | NPC19044 |
Remote Similarity | 0.6923 | NPC24751 |
Remote Similarity | 0.6923 | NPC100742 |
Remote Similarity | 0.6923 | NPC192402 |
Remote Similarity | 0.6923 | NPC121018 |
Remote Similarity | 0.6875 | NPC234005 |
Remote Similarity | 0.6857 | NPC7814 |
Remote Similarity | 0.6842 | NPC316217 |
Remote Similarity | 0.6842 | NPC222792 |
Remote Similarity | 0.6829 | NPC242655 |
Remote Similarity | 0.6829 | NPC38891 |
Remote Similarity | 0.6774 | NPC166804 |
Remote Similarity | 0.6774 | NPC314668 |
Remote Similarity | 0.6774 | NPC230726 |
Remote Similarity | 0.6765 | NPC280532 |
Remote Similarity | 0.6667 | NPC292641 |
Remote Similarity | 0.6571 | NPC175342 |
Remote Similarity | 0.6571 | NPC18224 |
Remote Similarity | 0.6571 | NPC328710 |
Remote Similarity | 0.6571 | NPC125575 |
Remote Similarity | 0.6552 | NPC181153 |
Remote Similarity | 0.6486 | NPC1037 |
Remote Similarity | 0.6471 | NPC320981 |
Remote Similarity | 0.6471 | NPC21374 |
Remote Similarity | 0.6452 | NPC3693 |
Remote Similarity | 0.6452 | NPC41485 |
Remote Similarity | 0.6452 | NPC32280 |
Remote Similarity | 0.6389 | NPC307027 |
Remote Similarity | 0.6389 | NPC127142 |
Remote Similarity | 0.6333 | NPC8187 |
Remote Similarity | 0.6316 | NPC321569 |
Remote Similarity | 0.6316 | NPC206924 |
Remote Similarity | 0.6286 | NPC76217 |
Remote Similarity | 0.6286 | NPC12904 |
Remote Similarity | 0.6286 | NPC307739 |
Remote Similarity | 0.625 | NPC240109 |
Remote Similarity | 0.6222 | NPC328954 |
Remote Similarity | 0.6216 | NPC325165 |
Remote Similarity | 0.6207 | NPC294703 |
Remote Similarity | 0.619 | NPC319680 |
Remote Similarity | 0.6176 | NPC270334 |
Remote Similarity | 0.6136 | NPC136159 |
Remote Similarity | 0.6129 | NPC110107 |
Remote Similarity | 0.6129 | NPC199270 |
Remote Similarity | 0.6111 | NPC286695 |
Remote Similarity | 0.6111 | NPC35371 |
Remote Similarity | 0.6111 | NPC99700 |
Remote Similarity | 0.6111 | NPC41007 |
Remote Similarity | 0.6111 | NPC178643 |
Remote Similarity | 0.6111 | NPC168714 |
Remote Similarity | 0.6061 | NPC283626 |
Remote Similarity | 0.6061 | NPC248233 |
Remote Similarity | 0.6061 | NPC320326 |
Remote Similarity | 0.6053 | NPC24967 |
Remote Similarity | 0.6053 | NPC134782 |
Remote Similarity | 0.6053 | NPC321699 |
Remote Similarity | 0.6053 | NPC155263 |
Remote Similarity | 0.6053 | NPC103612 |
Remote Similarity | 0.6 | NPC302611 |
Remote Similarity | 0.6 | NPC16947 |
Remote Similarity | 0.5952 | NPC313565 |
Remote Similarity | 0.5952 | NPC228782 |
Remote Similarity | 0.5952 | NPC259982 |
Remote Similarity | 0.5946 | NPC154396 |
Remote Similarity | 0.5938 | NPC88887 |
Remote Similarity | 0.5938 | NPC213764 |
Remote Similarity | 0.5938 | NPC165122 |
Remote Similarity | 0.5909 | NPC12438 |
Remote Similarity | 0.5909 | NPC30195 |
Remote Similarity | 0.5897 | NPC317945 |
Remote Similarity | 0.5897 | NPC158179 |
Remote Similarity | 0.5897 | NPC252843 |
Remote Similarity | 0.5897 | NPC109026 |
Remote Similarity | 0.5882 | NPC33415 |
Remote Similarity | 0.5882 | NPC317739 |
Remote Similarity | 0.5882 | NPC281943 |
Remote Similarity | 0.5882 | NPC301586 |
Remote Similarity | 0.587 | NPC46254 |
Remote Similarity | 0.5862 | NPC236761 |
Remote Similarity | 0.5854 | NPC320331 |
Remote Similarity | 0.5833 | NPC328569 |
Remote Similarity | 0.5833 | NPC212144 |
Remote Similarity | 0.5833 | NPC277878 |
Remote Similarity | 0.5814 | NPC43264 |
Remote Similarity | 0.5806 | NPC203105 |
Remote Similarity | 0.5806 | NPC23508 |
Remote Similarity | 0.5806 | NPC52403 |
Remote Similarity | 0.5789 | NPC289344 |
Remote Similarity | 0.5778 | NPC328497 |
Remote Similarity | 0.5778 | NPC324004 |
Remote Similarity | 0.5758 | NPC286233 |
Remote Similarity | 0.5758 | NPC3343 |
Remote Similarity | 0.5758 | NPC259649 |
Remote Similarity | 0.5758 | NPC201132 |
Remote Similarity | 0.5758 | NPC127134 |
Remote Similarity | 0.575 | NPC128713 |
Remote Similarity | 0.575 | NPC325454 |
Remote Similarity | 0.575 | NPC73245 |
Remote Similarity | 0.575 | NPC38930 |
Remote Similarity | 0.575 | NPC268826 |
Remote Similarity | 0.575 | NPC18188 |
Remote Similarity | 0.5714 | NPC248139 |
Remote Similarity | 0.5714 | NPC127696 |
Remote Similarity | 0.5714 | NPC196612 |
Remote Similarity | 0.5714 | NPC323401 |
Remote Similarity | 0.5714 | NPC19676 |
Remote Similarity | 0.5682 | NPC270088 |
Remote Similarity | 0.5676 | NPC217218 |
Remote Similarity | 0.5676 | NPC322892 |
Remote Similarity | 0.5676 | NPC14778 |
Remote Similarity | 0.5652 | NPC327542 |
Remote Similarity | 0.5652 | NPC131770 |
Remote Similarity | 0.5652 | NPC106872 |
Remote Similarity | 0.5652 | NPC200618 |
Remote Similarity | 0.5641 | NPC159089 |
Remote Similarity | 0.5641 | NPC80396 |
Remote Similarity | 0.5641 | NPC80641 |
Remote Similarity | 0.5641 | NPC154642 |
Remote Similarity | 0.5625 | NPC8368 |
Remote Similarity | 0.5625 | NPC245688 |
Remote Similarity | 0.5625 | NPC23071 |
Remote Similarity | 0.5625 | NPC87529 |
Remote Similarity | 0.5625 | NPC94144 |
Remote Similarity | 0.5625 | NPC256186 |
Remote Similarity | 0.561 | NPC183424 |
Remote Similarity | 0.561 | NPC94368 |
Remote Similarity | 0.561 | NPC3531 |
Remote Similarity | 0.561 | NPC118968 |
Remote Similarity | 0.561 | NPC294085 |
Remote Similarity | 0.561 | NPC329545 |
Remote Similarity | 0.561 | NPC261080 |
Remote Similarity | 0.561 | NPC154186 |
Remote Similarity | 0.561 | NPC201844 |
Remote Similarity | 0.561 | NPC214610 |
Remote Similarity | 0.561 | NPC301585 |
Remote Similarity | 0.561 | NPC301696 |
Remote Similarity | 0.561 | NPC14227 |
Remote Similarity | 0.561 | NPC113928 |
Remote Similarity | 0.561 | NPC279026 |
Remote Similarity | 0.56 | NPC6883 |
Molecular Weight   | 104.05 |
ALogP   | -0.9417 |
MLogP   | 1.57 |
XLogP   | -0.601 |
HDA   | 3 |
HBD   | 2 |
Rotatable Bonds   | 5 |
TPSA   | 57.53 |
RO5 Violation   | 0 |