Drug ID:   | NPD8617 |
Drug Name:   | Sodium Oxybate |
Molecular Formula:   | C4H8O3.Na |
Canonical SMILES:   | OCCCC(=O)[O-].[Na+] |
Standard InCHI:   | InChI=1S/C4H8O3.Na/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1 |
Standard InCHIKey:   | XYGBKMMCQDZQOZ-UHFFFAOYSA-M |
Max Developmental Stage:   | Approved |
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 | 0.9643 | NPC198126 |
Intermediate Similarity | 0.8438 | NPC316685 |
Intermediate Similarity | 0.8276 | NPC236709 |
Intermediate Similarity | 0.7586 | NPC149209 |
Intermediate Similarity | 0.7353 | NPC250870 |
Intermediate Similarity | 0.7353 | NPC317203 |
Intermediate Similarity | 0.7353 | NPC168052 |
Intermediate Similarity | 0.7353 | NPC191084 |
Intermediate Similarity | 0.7143 | NPC5505 |
Intermediate Similarity | 0.7105 | NPC100742 |
Intermediate Similarity | 0.7105 | NPC19044 |
Intermediate Similarity | 0.7105 | NPC192402 |
Intermediate Similarity | 0.7105 | NPC97444 |
Intermediate Similarity | 0.7105 | NPC121018 |
Intermediate Similarity | 0.7105 | NPC35661 |
Intermediate Similarity | 0.7105 | NPC24751 |
Intermediate Similarity | 0.7097 | NPC234005 |
Remote Similarity | 0.6875 | NPC292641 |
Remote Similarity | 0.6875 | NPC151140 |
Remote Similarity | 0.6875 | NPC104195 |
Remote Similarity | 0.6875 | NPC174368 |
Remote Similarity | 0.6875 | NPC61066 |
Remote Similarity | 0.6875 | NPC180423 |
Remote Similarity | 0.6875 | NPC122768 |
Remote Similarity | 0.6786 | NPC219266 |
Remote Similarity | 0.6786 | NPC181153 |
Remote Similarity | 0.6774 | NPC143211 |
Remote Similarity | 0.6765 | NPC108238 |
Remote Similarity | 0.6667 | NPC320981 |
Remote Similarity | 0.6667 | NPC1037 |
Remote Similarity | 0.6667 | NPC28246 |
Remote Similarity | 0.6585 | NPC38891 |
Remote Similarity | 0.6585 | NPC242655 |
Remote Similarity | 0.6579 | NPC316217 |
Remote Similarity | 0.6579 | NPC222792 |
Remote Similarity | 0.6571 | NPC7814 |
Remote Similarity | 0.6486 | NPC321569 |
Remote Similarity | 0.6471 | NPC76217 |
Remote Similarity | 0.6471 | NPC280532 |
Remote Similarity | 0.6471 | NPC307739 |
Remote Similarity | 0.6452 | NPC166804 |
Remote Similarity | 0.6452 | NPC230726 |
Remote Similarity | 0.6452 | NPC314668 |
Remote Similarity | 0.6286 | NPC328710 |
Remote Similarity | 0.6286 | NPC125575 |
Remote Similarity | 0.6286 | NPC175342 |
Remote Similarity | 0.6286 | NPC18224 |
Remote Similarity | 0.625 | NPC283626 |
Remote Similarity | 0.6176 | NPC21374 |
Remote Similarity | 0.6129 | NPC32280 |
Remote Similarity | 0.6129 | NPC165122 |
Remote Similarity | 0.6129 | NPC41485 |
Remote Similarity | 0.6129 | NPC3693 |
Remote Similarity | 0.6111 | NPC127142 |
Remote Similarity | 0.6111 | NPC307027 |
Remote Similarity | 0.6053 | NPC317945 |
Remote Similarity | 0.6053 | NPC206924 |
Remote Similarity | 0.6 | NPC328954 |
Remote Similarity | 0.6 | NPC12904 |
Remote Similarity | 0.6 | NPC240109 |
Remote Similarity | 0.6 | NPC8187 |
Remote Similarity | 0.5952 | NPC319680 |
Remote Similarity | 0.5946 | NPC325165 |
Remote Similarity | 0.5938 | NPC259649 |
Remote Similarity | 0.5938 | NPC3343 |
Remote Similarity | 0.5938 | NPC286233 |
Remote Similarity | 0.5909 | NPC136159 |
Remote Similarity | 0.5897 | NPC128713 |
Remote Similarity | 0.5882 | NPC248139 |
Remote Similarity | 0.5882 | NPC270334 |
Remote Similarity | 0.5862 | NPC294703 |
Remote Similarity | 0.5833 | NPC41007 |
Remote Similarity | 0.5833 | NPC168714 |
Remote Similarity | 0.5833 | NPC35371 |
Remote Similarity | 0.5833 | NPC217218 |
Remote Similarity | 0.5833 | NPC286695 |
Remote Similarity | 0.5833 | NPC99700 |
Remote Similarity | 0.5833 | NPC178643 |
Remote Similarity | 0.5806 | NPC199270 |
Remote Similarity | 0.5806 | NPC110107 |
Remote Similarity | 0.5789 | NPC24967 |
Remote Similarity | 0.5789 | NPC159089 |
Remote Similarity | 0.5789 | NPC155263 |
Remote Similarity | 0.5789 | NPC321699 |
Remote Similarity | 0.5789 | NPC103612 |
Remote Similarity | 0.5789 | NPC134782 |
Remote Similarity | 0.5758 | NPC320326 |
Remote Similarity | 0.5758 | NPC248233 |
Remote Similarity | 0.5758 | NPC320704 |
Remote Similarity | 0.5714 | NPC313565 |
Remote Similarity | 0.5714 | NPC302611 |
Remote Similarity | 0.5714 | NPC228782 |
Remote Similarity | 0.5714 | NPC259982 |
Remote Similarity | 0.5714 | NPC169098 |
Remote Similarity | 0.5714 | NPC68873 |
Remote Similarity | 0.5714 | NPC241404 |
Remote Similarity | 0.5714 | NPC16947 |
Remote Similarity | 0.5682 | NPC309658 |
Remote Similarity | 0.5682 | NPC12438 |
Remote Similarity | 0.5682 | NPC30195 |
Remote Similarity | 0.5676 | NPC154396 |
Remote Similarity | 0.5652 | NPC46254 |
Remote Similarity | 0.5641 | NPC158179 |
Remote Similarity | 0.5641 | NPC252843 |
Remote Similarity | 0.5641 | NPC109026 |
Remote Similarity | 0.5625 | NPC277878 |
Remote Similarity | 0.5625 | NPC213764 |
Remote Similarity | 0.5625 | NPC88887 |
Remote Similarity | 0.5625 | NPC82694 |
Remote Similarity | 0.561 | NPC320331 |
Molecular Weight   | 103.04 |
ALogP   | -1.6195 |
MLogP   | 1.57 |
XLogP   | -1.082 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 5 |
TPSA   | 60.36 |
RO5 Violation   | 0 |