 |
| Ligand Name:
6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione |
| HET ID: P0K |
PubChem:
146681122
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: O=C1CC(=NC(=O)N1)CN(Cc1ccco1)C |
| Standard InChI: InChI=1S/C11H13N3O3/c1-14(7-9-3-2-4-17-9)6-8-5-10(15)13-11(16)12-8/h2-4H,5-7H2,1H3,(H,13,15,16) |
| Molecular Formula: C11H13N3O3 |
Mol. Weight: 235.23923 |
Heavy Atoms: 17 |
| Charge: 0 |
Is Chiral: False |
logP: 0.5567 |
| HBD: 1 |
HBA: 6 |
TPSA: 74.91 |
| #Bonds: 18 |
#Rotatable Bonds: 4 |
Shape Complexity: 0.36363637 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |