Drug ID:   | NPD8219 |
Drug Name:   | Sodium Glycerophosphate |
Molecular Formula:   | C3H7O6P.2Na.H2O |
Canonical SMILES:   | [O-]CC(COP(=O)(O)O)[O-].O.[Na+].[Na+] |
Standard InCHI:   | InChI=1S/C3H7O6P.2Na.H2O/c4-1-3(5)2-9-10(6,7)8;;;/h3H,1-2H2,(H2,6,7,8);;;1H2/q-2;2*+1; |
Standard InCHIKey:   | LBDWSTFIMYEJKD-UHFFFAOYSA-N |
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 |
---|---|---|
Intermediate Similarity | 0.8276 | NPC266566 |
Intermediate Similarity | 0.8276 | NPC321170 |
Intermediate Similarity | 0.8276 | NPC31433 |
Intermediate Similarity | 0.7407 | NPC317545 |
Intermediate Similarity | 0.7 | NPC306022 |
Remote Similarity | 0.6897 | NPC68114 |
Remote Similarity | 0.6429 | NPC314978 |
Remote Similarity | 0.6389 | NPC328950 |
Remote Similarity | 0.6333 | NPC120097 |
Remote Similarity | 0.6316 | NPC322956 |
Remote Similarity | 0.6316 | NPC325307 |
Remote Similarity | 0.6061 | NPC329270 |
Remote Similarity | 0.6 | NPC318951 |
Remote Similarity | 0.6 | NPC320624 |
Remote Similarity | 0.5862 | NPC157340 |
Remote Similarity | 0.5714 | NPC327597 |
Remote Similarity | 0.5625 | NPC33415 |
Remote Similarity | 0.5625 | NPC301586 |
Remote Similarity | 0.56 | NPC317825 |
Molecular Weight   | 170.00 |
ALogP   | -2.0115 |
MLogP   | 1.02 |
XLogP   | -3.109 |
HDA   | 6 |
HBD   | 2 |
Rotatable Bonds   | 8 |
TPSA   | 122.69 |
RO5 Violation   | 0 |