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Ligand Download |
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| Ligand Name: ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide | ||
| HET ID: JOK | PubChem: 138857409 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O=C(N[C@H]1CC(=O)NC1=O)CCc1ccccc1 | ||
| Standard InChI: InChI=1S/C13H14N2O3/c16-11(7-6-9-4-2-1-3-5-9)14-10-8-12(17)15-13(10)18/h1-5,10H,6-8H2,(H,14,16)(H,15,17,18)/t10-/m0/s1 | ||
| Molecular Formula: C13H14N2O3 | Mol. Weight: 246.26186 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: True | logP: 0.8702 |
| HBD: 2 | HBA: 5 | TPSA: 75.27 |
| #Bonds: 20 | #Rotatable Bonds: 5 | Shape Complexity: 0.30769232 |
| Stereocomplexity: 0.07692308 | ||