Drug ID: | NPD873 |
Drug Name: | Memantine |
Molecular Formula: | C12H21N |
Canonical SMILES: | CC12CC3CC(C1)(C)CC(C2)(C3)N |
Standard InCHI: | InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3 |
Standard InCHIKey: | BUGYDGFZZOZRHP-UHFFFAOYSA-N |
Max Developmental Stage: | Approved |
Max Developmental Stage Source: | 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
Molecular Weight | 179.17 |
ALogP | 1.0069 |
MLogP | 2.67 |
XLogP | 3.524 |
HDA | 1 |
HBD | 1 |
Rotatable Bonds | 3 |
TPSA | 26.02 |
RO5 Violation | 0 |