COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(C)C)c1
SMILES: COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(C)C)c1

Molecular Processing

Molecular formula
C27H28FN3O3
Molecular weight
461.54
Exact mass
461.2115
XLogP
5.45
TPSA
65.38
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
129.83

Supplementary Information

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