Drug ID:   | NPD7384 |
Drug Name:   | Etidronate Disodium |
Molecular Formula:   | C2H8O7P2.2Na |
Canonical SMILES:   | CC(P(=O)(O)O)(P(=O)([O-])[O-])O.[Na+].[Na+] |
Standard InCHI:   | InChI=1S/C2H8O7P2.2Na/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2 |
Standard InCHIKey:   | GWBBVOVXJZATQQ-UHFFFAOYSA-L |
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 | 0.75 | NPC314978 |
Remote Similarity | 0.6538 | NPC317545 |
Remote Similarity | 0.6207 | NPC306022 |
Remote Similarity | 0.5909 | NPC317825 |
Molecular Weight   | 203.96 |
ALogP   | -2.1574 |
MLogP   | 0.69 |
XLogP   | -3.815 |
HDA   | 7 |
HBD   | 3 |
Rotatable Bonds   | 8 |
TPSA   | 160.57 |
RO5 Violation   | 0 |