Biological Activity of Selected Compounds from Annona muricata Seed as Antibreast Cancer Agents: Theoretical Study

Table 1

Calculated molecular descriptors of the studied compounds.

	EHOMO (eV)	ELUMO (eV)	BG	DM	MW	Log P	OVA	PSA	POL	HBD	HBA
A	−6.74	−1.00	5.74	10.40	596.89	6.80	1.98	95.53	94.96	4	6
B	−6.69	−1.14	5.55	9.82	596.89	6.80	1.98	97.35	95.03	4	6
C	−6.66	−1.15	5.51	8.38	594.87	6.95	1.98	91.71	94.65	3	6
D	−6.75	−1.00	5.75	9.90	568.83	5.96	1.94	95.53	91.99	4	6
E	−7.17	−0.03	7.14	4.86	284.44	4.54	1.61	41.29	66.74	1	2

Notes. BG: band gap (E_LUMO-E_HOMO); DM: dipole moment; MW: molecular weight; OVA: ovality; POL: polarizability; HBD: hydrogen bond donor; HBA: hydrogen bond acceptor.