Table 2.

The selected compound molecular descriptors

Molecular descriptor of compounds	Description
BCUT_SMR_3	Molar Refractivity BCUT (3/3)
b_double	Number of double bonds
b_max1len	Maximum single-bond chain length
dipole	Dipole moment
dipoleX	Dipole moment (X)
dipoleY	Dipole moment (Y)
E_ele	Electrostatic energy
E_vdw	Van der Waals energy
FASA+	Fractional positive accessible surface area
GCUT_SLOGP_2	LogP GCUT (2/3)
GCUT_SMR_0	Molar Refractivity GCUT (0/3)
PEOE_RPC-	Relative negative partial charge
PEOE_VSA + 5	Total positive 5 vdw surface area
PEOE_VSA-0	Total negative 0 vdw surface area
PEOE_VSA-1	Total negative 1 vdw surface area
PEOE_VSA_FPOS	Fractional positive vdw surface area
PEOE_VSA_FPPOS	Fractional polar positive vdw surface area
pmiX	Principal moment of inertia (X)
pmiZ	Principal moment of inertia (Z)
Q_VSA_FPNEG	Fractional polar negative vdw surface area
Q_VSA_FPPOS	Fractional polar positive vdw surface area
rsynth	Synthetic Feasibility