Drug ID:   | NPD9066 |
Drug Name:   | |
Molecular Formula:   | C6H18OSi2 |
Canonical SMILES:   | C[Si](O[Si](C)(C)C)(C)C |
Standard InCHI:   | InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3 |
Standard InCHIKey:   | UQEAIHBTYFGYIE-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 |
---|---|---|
Intermediate Similarity | 0.8235 | NPC188413 |
Intermediate Similarity | 0.7368 | NPC219694 |
Remote Similarity | 0.619 | NPC217229 |
TTD   | DIB013435 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 162.09 |
ALogP   | 4.1543 |
MLogP   | 1.79 |
XLogP   | 3.252 |
HDA   | 1 |
HBD   | 0 |
Rotatable Bonds   | 8 |
TPSA   | 9.23 |
RO5 Violation   | 0 |