 |
| Ligand Name:
(4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one |
| HET ID: IZN |
PubChem:
31762
|
| DrugBank: - |
ChEMBL: CHEMBL293950 |
| Canonical SMILES: CO[C@H]1CC=C2[C@]3(C1)N(CC2)CCC1=C3CC(=O)OC1 |
| Standard InChI: InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1 |
| Molecular Formula: C16H21NO3 |
Mol. Weight: 275.34283 |
Heavy Atoms: 20 |
| Charge: 0 |
Is Chiral: True |
logP: 1.7512 |
| HBD: 0 |
HBA: 4 |
TPSA: 38.77 |
| #Bonds: 24 |
#Rotatable Bonds: 1 |
Shape Complexity: 0.6875 |
| Stereocomplexity: 0.1875 |
Ligand Type: Small Molecule |