Drug ID: | NPD8555 |
Drug Name: | Metformin |
Molecular Formula: | C4H11N5 |
Canonical SMILES: | CN(C(=N)NC(=N)N)C |
Standard InCHI: | InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) |
Standard InCHIKey: | XZWYZXLIPXDOLR-UHFFFAOYSA-N |
Max Developmental Stage: | Approved |
Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
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
TTD | DAP000205; DIB014097 |
DrugBank | DB00331 |
ChEMBL | CHEMBL1431 |
IUPHAR/BPS | 4779 |
PharmaGKB | PA450395 |
KEGG Drug | D04966 |
PubChem CID | 4091 |
ChEBI | 6801 |
CAS Number | 657-24-9 |
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 |