Drug ID:   | NPD9771 |
Drug Name:   | Technetium Tc 99m Oxidronate |
Molecular Formula:   | CH6O7P2.Tc |
Canonical SMILES:   | OC(P(=O)(O)O)P(=O)(O)O.[100Tc] |
Standard InCHI:   | InChI=1S/CH6O7P2.Tc/c2-1(9(3,4)5)10(6,7)8;/h1-2H,(H2,3,4,5)(H2,6,7,8);/i;1+2 |
Standard InCHIKey:   | SIJNDWFHVBDXDY-NLQOEHMXSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | DrugBank |
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 |
---|---|---|
Remote Similarity | 0.6957 | NPC314978 |
Remote Similarity | 0.6842 | NPC317825 |
Remote Similarity | 0.6 | NPC117466 |
Remote Similarity | 0.6 | NPC317545 |
Molecular Weight   | 191.96 |
ALogP   | -0.5467 |
MLogP   | 0.58 |
XLogP   | -4.232 |
HDA   | 7 |
HBD   | 5 |
Rotatable Bonds   | 7 |
TPSA   | 154.91 |
RO5 Violation   | 0 |