Drug Information| Drug ID: | NPD256 |
| Drug Name: | Metyrosine; alpha-methyltyrosine |
| Molecular Formula: | C10H13NO3 |
| Canonical SMILES: | Oc1ccc(cc1)C[C@@](C(=O)O)(N)C |
| Standard InCHI: | InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1 |
| Standard InCHIKey: | NHTGHBARYWONDQ-JTQLQIEISA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD256Similarity 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.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| Molecular Weight | 195.09 |
| ALogP | -0.9742 |
| MLogP | 2.12 |
| XLogP | -1.467 |
| HDA | 3 |
| HBD | 3 |
| Rotatable Bonds | 7 |
| TPSA | 83.55 |
| RO5 Violation | 0 |