Drug ID:   | NPD7352 |
Drug Name:   | |
Molecular Formula:   | C2H2O4 |
Canonical SMILES:   | OC(=O)C(=O)O |
Standard InCHI:   | InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6) |
Standard InCHIKey:   | MUBZPKHOEPUJKR-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD |
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 | NPC301950 |
Intermediate Similarity | 0.7083 | NPC165122 |
Remote Similarity | 0.6296 | NPC316272 |
Remote Similarity | 0.625 | NPC307812 |
Remote Similarity | 0.6207 | NPC329270 |
Remote Similarity | 0.5909 | NPC68873 |
Remote Similarity | 0.5909 | NPC7922 |
Remote Similarity | 0.5667 | NPC212144 |
Remote Similarity | 0.5667 | NPC76217 |
Remote Similarity | 0.5667 | NPC307739 |
Molecular Weight   | 90.00 |
ALogP   | -0.4796 |
MLogP   | 1.24 |
XLogP   | -0.688 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 3 |
TPSA   | 74.6 |
RO5 Violation   | 0 |