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Ligand Download |
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| Ligand Name: S-Pomalidomide | ||
| HET ID: Y70 | PubChem: 9965330 | |
| DrugBank: - | ChEMBL: CHEMBL2093113 | |
| Canonical SMILES: O=C1CC[C@@H](C(=O)N1)N1C(=O)c2c(C1=O)c(N)ccc2 | ||
| Standard InChI: InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m0/s1 | ||
| Molecular Formula: C13H11N3O4 | Mol. Weight: 273.24414 | Heavy Atoms: 20 |
| Charge: 0 | Is Chiral: True | logP: 0.5179 |
| HBD: 2 | HBA: 7 | TPSA: 109.57 |
| #Bonds: 23 | #Rotatable Bonds: 1 | Shape Complexity: 0.23076923 |
| Stereocomplexity: 0.07692308 | ||