Drug ID:   | NPD8595 |
Drug Name:   | Sodium aurothiomalate |
Molecular Formula:   | C4H6O4S.Au.Na |
Canonical SMILES:   | [O-]C(=O)CC(C(=O)[O-])S.[Na+].[Au+] |
Standard InCHI:   | InChI=1S/C4H6O4S.Au.Na/c5-3(6)1-2(9)4(7)8;;/h2,9H,1H2,(H,5,6)(H,7,8);;/q;2*+1/p-2 |
Standard InCHIKey:   | LTEMOXGFFHXNNS-UHFFFAOYSA-L |
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 |
---|---|---|
Intermediate Similarity | 0.7188 | NPC236709 |
Remote Similarity | 0.697 | NPC180423 |
Remote Similarity | 0.6875 | NPC320704 |
Remote Similarity | 0.6765 | NPC16947 |
Remote Similarity | 0.6389 | NPC108238 |
Remote Similarity | 0.6364 | NPC283626 |
Remote Similarity | 0.6176 | NPC319333 |
Remote Similarity | 0.6 | NPC248139 |
Remote Similarity | 0.5946 | NPC14778 |
Remote Similarity | 0.5897 | NPC1037 |
Remote Similarity | 0.5854 | NPC329545 |
Remote Similarity | 0.5833 | NPC198126 |
Remote Similarity | 0.5758 | NPC28246 |
Remote Similarity | 0.575 | NPC321569 |
Remote Similarity | 0.5714 | NPC234005 |
Molecular Weight   | 147.98 |
ALogP   | -1.4465 |
MLogP   | 1.35 |
XLogP   | -1.488 |
HDA   | 4 |
HBD   | 0 |
Rotatable Bonds   | 6 |
TPSA   | 119.06 |
RO5 Violation   | 0 |