Ligand |
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| Ligand Name: [(2~{S})-3-[[(1~{S})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid | ||
| HET ID: SGG | PubChem: 5311042 | |
| DrugBank: - | ChEMBL: CHEMBL455185 | |
| Canonical SMILES: O[C@H](C[P@](=O)(Cc1ccccc1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C | ||
| Standard InChI: InChI=1S/C18H22Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h2-9,13,16,21-22H,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1 | ||
| Molecular Formula: C18H22Cl2NO3P | Mol. Weight: 402.25195 | Heavy Atoms: 25 |
| Charge: 0 | Is Chiral: True | logP: 4.8664 |
| HBD: 3 | HBA: 4 | TPSA: 79.37 |
| #Bonds: 28 | #Rotatable Bonds: 8 | Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.16666667 | Ligand Type: Small Molecule | |
Binding Affinity |
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