Absorption, distribution, metabolism, excretion, and toxicity (ADMET) predictions of compounds (1–10) isolated from the ethyl acetate extract of Aspergillus sp. obtained from the soft coral Sinularia species^a.

Compound	Absorption level	Solubility level	BBB level	PPB level	CPY2D6	Hepatotoxic	PSA-2D	Alog p98
1	0	2	4	True	NI	NT	2.30	121.44
2	0	1	3	True	NI	NT	3.20	100.63
3	1	2	4	False	NI	Tox	3.49	115.08
4	0	2	2	False	NI	Tox	3.84	85.33
5	1	3	4	False	NI	Tox	1.94	135.33
6	1	3	4	False	NI	Tox	0.40	127.74
7	0	3	4	False	NI	Tox	0.81	115.85
8	0	3	4	False	NI	Tox	0.75	121.98
9	0	3	2	True	NI	NT	2.24	52.46
10	0	4	3	False	NI	Tox	1.09	76.23

^a0, 1, 2, and 3 indicates good, moderate, low, and very low absorption, respectively; 0, 1, 2, 3, 4, and 5 indicates extremely low, very low but possible, low, good, optimal, and too soluble, respectively; 0, 1, 2, 3, and 4 denote very high, high, medium, low, and undefined, penetration via BBB respectively. PBB, plasma protein binding, FALSE means less than 90%, TRUE means more than 90%. NI: non-inhibitor. NT: non-toxic; Tox., toxic. PSA 2D: 2D polar surface area. Alog P98: logarithm of the partition coefficient between n-octanol and water.