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. 2022 Dec 21;40(1):56. doi: 10.1007/s12032-022-01924-4

Table 3.

Global descriptors of lead molecules calculated using the energy level LACV3P++**

S. No Compound ID Ionization potential (IP) Electron affinity (EA) Hardness (η) Softness (S) Chemical potential (χ)
1 Vandetanib 9.262 2.099 7.163 0.139 5.861
2 DB09313 8.522 1.155 7.367 0.136 4.839
3 DB00471 8.586 1.069 7.517 0.133 4.828