 |
| Ligand Name: N-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB232 |
PubChem:
122206750
|
Synonym(s):
- n-[2-(2,3-dihydroxybenzoylamino)ethyl]maleimide
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Oc1c(O)cccc1C(=O)NCCN2C(=O)C=CC2=O |
| Standard InChI: InChI=1S/C13H12N2O5/c16-9-3-1-2-8(12(9)19)13(20)14-6-7-15-10(17)4-5-11(15)18/h1-5,16,19H,6-7H2,(H,14,20) |
| Molecular Formula: C13H12N2O5 |
Mol. Weight: 276.07462 |
logP: -0.2474 |
| HBD: 3 | HBA: 5 |
| #Rotatable Bonds: 4 | TPSA: 106.94 |