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Ligand Download |
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| Ligand Name: trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium | ||
| HET ID: LW8 | PubChem: 124079411, 3037043, 165404 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OC(=O)[C@@H]([N+](C)(C)C)Cc1c[nH]c(=S)[nH]1 | ||
| Standard InChI: InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1 | ||
| Molecular Formula: C9H16N3O2S+ | Mol. Weight: 230.30724 | Heavy Atoms: 15 |
| Charge: 1 | Is Chiral: True | logP: 0.7742 |
| HBD: 3 | HBA: 3 | TPSA: 100.97 |
| #Bonds: 18 | #Rotatable Bonds: 4 | Shape Complexity: 0.5555556 |
| Stereocomplexity: 0.11111111 | ||