Table 1.

Various descriptors along with their description and significance used for advanced search criteria

Descriptor	Comments
Acceptor count	Number of hydrogen bond acceptors in the molecule (88).
Donor count	Number of hydrogen bond donors in the molecule (88).
Rotatable bonds	Provides information about conformation sampling of a molecule, which is useful in docking This is important in docking, where a particular conformation might show favorable binding.
Aromatic rings	Number of aromatic rings in a molecule. Generally, the presence of aromatic rings in a molecule result in the possibility of π–π interactions prevalent in binding sites.
XlogP	Distribution-coefficient of the inhibitors, drug like properties and lipophilic efficiency (89–91).