Drug ID:   | NPD8554 |
Drug Name:   | Metformin Hydrochloride |
Molecular Formula:   | C4H11N5.ClH |
Canonical SMILES:   | CN(C(=N)NC(=N)N)C.Cl |
Standard InCHI:   | InChI=1S/C4H11N5.ClH/c1-9(2)4(7)8-3(5)6;/h1-2H3,(H5,5,6,7,8);1H |
Standard InCHIKey:   | OETHQSJEHLVLGH-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 | NPC230775 |
Remote Similarity | 0.6 | NPC163099 |
Remote Similarity | 0.5806 | NPC73371 |
Molecular Weight   | 129.10 |
ALogP   | -0.2231 |
MLogP   | 1.35 |
XLogP   | 0.558 |
HDA   | 5 |
HBD   | 4 |
Rotatable Bonds   | 6 |
TPSA   | 88.99 |
RO5 Violation   | 0 |