 |
| Ligand Name:
6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione |
| HET ID: M3Z |
PubChem:
146018694
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: O=C1CC(=NC(=O)N1)CN(Cc1ccccc1)C |
| Standard InChI: InChI=1S/C13H15N3O2/c1-16(8-10-5-3-2-4-6-10)9-11-7-12(17)15-13(18)14-11/h2-6H,7-9H2,1H3,(H,15,17,18) |
| Molecular Formula: C13H15N3O2 |
Mol. Weight: 245.2771 |
Heavy Atoms: 18 |
| Charge: 0 |
Is Chiral: False |
logP: 0.9637 |
| HBD: 1 |
HBA: 5 |
TPSA: 61.77 |
| #Bonds: 19 |
#Rotatable Bonds: 4 |
Shape Complexity: 0.30769232 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |