|
Ligand Download |
||
 | ||
| Ligand Name: 3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol | ||
| HET ID: DY3 | PubChem: 146037590 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OCCCc1nnc(n1c1cc(C)c(c(c1)C)C)SC | ||
| Standard InChI: InChI=1S/C15H21N3OS/c1-10-8-13(9-11(2)12(10)3)18-14(6-5-7-19)16-17-15(18)20-4/h8-9,19H,5-7H2,1-4H3 | ||
| Molecular Formula: C15H21N3OS | Mol. Weight: 291.41174 | Heavy Atoms: 20 |
| Charge: 0 | Is Chiral: False | logP: 2.8393 |
| HBD: 1 | HBA: 5 | TPSA: 76.24 |
| #Bonds: 21 | #Rotatable Bonds: 5 | Shape Complexity: 0.46666667 |
| Stereocomplexity: 0.0 | ||