Drug ID:   | NPD8596 |
Drug Name:   | Gold Sodium Thiomalate |
Molecular Formula:   | C4H6O4S.Au |
Canonical SMILES:   | [O-]C(=O)CC(C(=O)O)S.[Au+] |
Standard InCHI:   | InChI=1S/C4H6O4S.Au/c5-3(6)1-2(9)4(7)8;/h2,9H,1H2,(H,5,6)(H,7,8);/q;+1/p-1 |
Standard InCHIKey:   | XJHSMFDIQHVMCY-UHFFFAOYSA-M |
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 | 0.8125 | NPC236709 |
Intermediate Similarity | 0.7812 | NPC320704 |
Intermediate Similarity | 0.7647 | NPC16947 |
Remote Similarity | 0.6757 | NPC14778 |
Remote Similarity | 0.6667 | NPC198126 |
Remote Similarity | 0.6667 | NPC1037 |
Remote Similarity | 0.6585 | NPC329545 |
Remote Similarity | 0.6571 | NPC319333 |
Remote Similarity | 0.65 | NPC321569 |
Remote Similarity | 0.6471 | NPC149209 |
Remote Similarity | 0.6389 | NPC180423 |
Remote Similarity | 0.6154 | NPC7814 |
Remote Similarity | 0.6098 | NPC317945 |
Remote Similarity | 0.6087 | NPC136476 |
Remote Similarity | 0.6087 | NPC49952 |
Remote Similarity | 0.6047 | NPC240109 |
Remote Similarity | 0.6 | NPC316685 |
Remote Similarity | 0.5952 | NPC128713 |
Remote Similarity | 0.5946 | NPC61066 |
Remote Similarity | 0.5946 | NPC174368 |
Remote Similarity | 0.5946 | NPC292641 |
Remote Similarity | 0.5946 | NPC104195 |
Remote Similarity | 0.5946 | NPC122768 |
Remote Similarity | 0.5946 | NPC151140 |
Remote Similarity | 0.5909 | NPC97444 |
Remote Similarity | 0.5909 | NPC19044 |
Remote Similarity | 0.5909 | NPC24751 |
Remote Similarity | 0.5909 | NPC192402 |
Remote Similarity | 0.5909 | NPC121018 |
Remote Similarity | 0.5909 | NPC100742 |
Remote Similarity | 0.5897 | NPC18224 |
Remote Similarity | 0.5897 | NPC328710 |
Remote Similarity | 0.5897 | NPC125575 |
Remote Similarity | 0.5897 | NPC108238 |
Remote Similarity | 0.5833 | NPC283626 |
Remote Similarity | 0.5789 | NPC320981 |
Remote Similarity | 0.5778 | NPC169098 |
Remote Similarity | 0.5758 | NPC181153 |
Remote Similarity | 0.5745 | NPC166287 |
Remote Similarity | 0.5641 | NPC280532 |
Remote Similarity | 0.56 | NPC125736 |
Molecular Weight   | 148.99 |
ALogP   | -0.7687 |
MLogP   | 1.35 |
XLogP   | -1.007 |
HDA   | 4 |
HBD   | 1 |
Rotatable Bonds   | 6 |
TPSA   | 116.23 |
RO5 Violation   | 0 |