 |
| Ligand Name:
4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-4(5H)-YLIDENE)METHYL]AMINO}BUTANOIC ACID |
| HET ID: PHX |
PubChem:
67360018,
135431471
|
| DrugBank: DB08396 |
ChEMBL: - |
| Canonical SMILES: c1ccc(cc1)C2=NC(=CNCCCC(=O)O)C(=O)O2 |
| Standard InChI: InChI=1S/C14H14N2O4/c17-12(18)7-4-8-15-9-11-14(19)20-13(16-11)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2,(H,17,18)/b11-9+ |
| Molecular Formula: C14H14N2O4 |
Mol. Weight: 274.27197 |
Heavy Atoms: 20 |
| Charge: 0 |
Is Chiral: False |
logP: 1.1123 |
| HBD: 2 |
HBA: 6 |
TPSA: 87.99 |
| #Bonds: 21 |
#Rotatable Bonds: 6 |
Shape Complexity: 0.21428572 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |