Table 3: In silico ADMET predictions of best novel hit “Compound 10f”b.

Compound “10f”
#stars 0 Accpt HB 8 # metab 3
#rotor 5 QP polrz 35.167 QPlog Khsa -0.18
CNS 1 QPlogPoct 19.375 Human Oral Abs. 2
dipole 6.351 QPlogPw 13.342 % Human Oral Abs 62.393
SASA 562.431 QPlogPo/w 0.977 PSA 69.289
FOSA 184.717 QPlogS -0.645 Rule Of Five 0
FISA 119.045 QPP Caco 45.793 Rule Of Three 0
Donor HB 2 QPPMDCK 21.872
WPSA 0.967 QPlog BB 0.057

bThe ADMET values were determined through ligand based pharmacophore model development in silico screening using QikProp-Schrodinger software.