 |
| Ligand Name:
amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium |
| HET ID: 0HZ |
PubChem:
137347862
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: O=C1N[C@@H](CCCNC(=[NH2+])N)C(=O)N2[C@@H]1CCC2 |
| Standard InChI: InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/p+1/t7-,8+/m0/s1 |
| Molecular Formula: C11H20N5O2+ |
Mol. Weight: 254.3088 |
Heavy Atoms: 18 |
| Charge: 1 |
Is Chiral: True |
logP: -1.7227 |
| HBD: 4 |
HBA: 6 |
TPSA: 113.05 |
| #Bonds: 23 |
#Rotatable Bonds: 5 |
Shape Complexity: 0.72727275 |
| Stereocomplexity: 0.18181819 |
Ligand Type: Small Molecule |