C#Cc1cnc(C(=O)N2CCc3cc(F)ccc32)cc1N1CCC(N2CCc3cc(OC)ccc3NC2=O)CC1
SMILES: C#Cc1cnc(C(=O)N2CCc3cc(F)ccc32)cc1N1CCC(N2CCc3cc(OC)ccc3NC2=O)CC1

Molecular Processing

Molecular formula
C31H30FN5O3
Molecular weight
539.61
Exact mass
539.2333
XLogP
4.47
TPSA
78.01
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
40
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
151.61

Supplementary Information

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