 |
| Ligand Name:
S-Pomalidomide |
| HET ID: Y70 |
PubChem:
9965330
|
| DrugBank: - |
ChEMBL: CHEMBL2093113 |
| Canonical SMILES: O=C1CC[C@@H](C(=O)N1)N1C(=O)c2c(C1=O)c(N)ccc2 |
| Standard InChI: InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m0/s1 |
| Molecular Formula: C13H11N3O4 |
Mol. Weight: 273.24414 |
Heavy Atoms: 20 |
| Charge: 0 |
Is Chiral: True |
logP: 0.5179 |
| HBD: 2 |
HBA: 7 |
TPSA: 109.57 |
| #Bonds: 23 |
#Rotatable Bonds: 1 |
Shape Complexity: 0.23076923 |
| Stereocomplexity: 0.07692308 |
Ligand Type: Small Molecule |