 |
| Ligand Name:
[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine |
| HET ID: 5R8 |
PubChem:
18525875
|
| DrugBank: - |
ChEMBL: CHEMBL3763993 |
| Canonical SMILES: NCc1ccc(cc1)CN1CCCN(CC1)C |
| Standard InChI: InChI=1S/C14H23N3/c1-16-7-2-8-17(10-9-16)12-14-5-3-13(11-15)4-6-14/h3-6H,2,7-12,15H2,1H3 |
| Molecular Formula: C14H23N3 |
Mol. Weight: 233.35252 |
Heavy Atoms: 17 |
| Charge: 0 |
Is Chiral: False |
logP: 1.8589 |
| HBD: 1 |
HBA: 3 |
TPSA: 32.5 |
| #Bonds: 18 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.5714286 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |