 |
| 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 |
Ligand Type: Small Molecule |