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. 2021 May 21;7(5):e07061. doi: 10.1016/j.heliyon.2021.e07061

Table 8(a).

Molinspiration property values of 5B3N2C and standard drug molecule.

Descriptors 5B3N2C Ispinesib Lonafarnib Expected range
Hydrogen bond donor (HBD) 0 1 1 <5
Hydrogen bond acceptors (HBA) 4 4 3 <10
AlogP 1.77 4.6 5.84 <5
Polar surface area (PSA) Aͦ 2 82.5 81.23 79.53 <140
Molecular weight (dalton) 278 517.07 638.82 <500
Number of rotatable bonds 1 9 5 <10
Molar refractivity 45.47 150.85 157.3 40–130