Table 5. Drug-Like Property Screening^a.

						drug-likeness					toxicity
entry	MW (Da)	n-ROTB	n-HBA	n-HBD	TPSA	Lipinski	Veber	Egan	Log P	SA	AMES	hepatotoxicity
rule	<500	<10	<10	≤5	<140 Å2	yes/no			≤5	0 < SA < 10	yes/no
3b	206.26	1	2	0	62.38	yes	yes	yes	1.25	2.74	no	no
5c	286.37	1	2	1	123.36	yes	yes	yes	1.25	3.27	yes	yes
5d	333.43	4	3	1	125.87	yes	yes	yes	1.99	3.63	yes	yes
6b	257.24	1	5	1	83.46	yes	yes	yes	–0.17	3.78	no	no
6c	258.34	1	2	1	87.28	yes	yes	yes	1.59	3.97	yes	yes
6d	259.32	1	3	1	81.49	yes	yes	yes	1.59	3.61	no	no
8a	339.43	2	2	0	95.47	yes	yes	yes	2.02	3.57	yes	no
8b	355.50	2	1	0	110.57	yes	yes	yes	2.90	3.60	yes	no
10c	232.30	1	2	2	95.30	yes	yes	yes	1.10	3.01	yes	no
10d	384.50	4	2	1	70.45	yes	yes	yes	4.10	3.71	yes	yes
12a	218.21	1	5	1	71.76	yes	yes	yes	0.27	3.49	yes	yes
12b	234.27	1	4	1	86.86	yes	yes	yes	1.10	3.51	yes	no
16c	245.27	3	3	1	55.40	yes	yes	yes	0.83	2.26	no	no
17d	356.44	5	3	2	109.66	yes	yes	yes	2.10	3.72	no	no
17e	325.38	3	3	2	116.38	yes	yes	yes	0.82	3.30	yes	no
17f	372.44	6	4	2	118.89	yes	yes	yes	1.55	3.71	no	yes
19c	320.79	3	2	2	100.43	yes	yes	yes	2.15	2.96	yes	yes
20c	387.84	6	4	2	127.30	yes	yes	yes	1.48	3.37	yes	yes
22c	437.96	2	2	1	110.48	yes	yes	yes	4.36	3.73	yes	no
Foretinib	632.65	14	10	2	111.25	yes	no	yes	2.62	4.05	no	yes

^aMW: molecular weight, n-ROTB: number of rotatable bonds, n-HBA: number of hydrogen bond acceptors, n-HBD: number of hydrogen bonds donors, TPSA: topological polar surface area, drug-likeness: applicable (yes) or not applicable (no), Log P: logarithm of partition coefficient of compound between n-octanol, SA: synthetic accessibility, AMES: AMES toxicity test, and hepatotoxicity: hepatotoxicity index.