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Ligand Download |
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| Ligand Name: 3-(dimethylamino)butyl dimethylcarbamate | ||
| HET ID: XRX | PubChem: 9836977 | |
| DrugBank: - | ChEMBL: CHEMBL2312568 | |
| Canonical SMILES: C[C@@H](N(C)C)CCOC(=O)N(C)C | ||
| Standard InChI: InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3/t8-/m1/s1 | ||
| Molecular Formula: C9H20N2O2 | Mol. Weight: 188.2673 | Heavy Atoms: 13 |
| Charge: 0 | Is Chiral: True | logP: 1.0248 |
| HBD: 0 | HBA: 4 | TPSA: 32.78 |
| #Bonds: 13 | #Rotatable Bonds: 6 | Shape Complexity: 0.8888889 |
| Stereocomplexity: 0.11111111 | ||