Drug ID:   | NPD7378 |
Drug Name:   | Dimethyl Sulfoxide |
Molecular Formula:   | C2H6OS |
Canonical SMILES:   | CS(=O)C |
Standard InCHI:   | InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 |
Standard InCHIKey:   | IAZDPXIOMUYVGZ-UHFFFAOYSA-N |
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 |
---|---|---|
High Similarity | 1.0 | NPC42017 |
Intermediate Similarity | 0.8462 | NPC256853 |
Intermediate Similarity | 0.8333 | NPC208362 |
Remote Similarity | 0.5833 | NPC194465 |
Remote Similarity | 0.5714 | NPC268218 |
Remote Similarity | 0.5625 | NPC323500 |
Molecular Weight   | 78.01 |
ALogP   | -0.3166 |
MLogP   | 1.46 |
XLogP   | -0.718 |
HDA   | 1 |
HBD   | 0 |
Rotatable Bonds   | 2 |
TPSA   | 36.28 |
RO5 Violation   | 0 |