Identification of Effective and Nonpromiscuous Antidiabetic Drug Molecules from Penicillium Species

Table 4

QSAR analysis features of fungal compounds.

Name	Compound ID	Mol. wt. (g/mol)	AMR	Activity cliffs	apol	bpol	TPSA	FMF		HBA	HBD
Phenidone	CID_7090	162.19	32.34	0.04	25.51	13.21	32.34	0.92	0.24	3	1
Asperphenamate	CID_173952	496.60	84.5	0.04	81.73	38.91	84.5	0.92	4.52	6	2
Benzomalvin A	CID_10068406	381.41	74.6	0.04	59.81	27.97	52.98	0.92	1.92	5	0
Benzomalvin B	CID_6443512	379.41	52.98	0.03	58.48	25.78	52.98	0.92	2.31	5	0
Sterenin A	CID_24760622	383.41	52.98	0.04	63.86	33.14	116.32	0.55	2.52	4	4
Sterenin C	CID_24760620	383.41	116.09	0.05	56.87	27.45	112.51	0.61	2.52	3	4
Sterenin K	CID_77461067	469.50	127.53	0.03	69.52	36.29	128.16	0.52	2.56	5	4
Sterenin L	CID_77461068	497.35	90.15	0.02	75.71	40.66	128.16	0.47	3.79	5	4
Sterenin M	CID_77461069	497.15	63.6	0.02	75.71	40.66	128.16	0.47	4.01	5	4
6′-O-Desmethylterphenyllin	CID_53262748	324.30	66.76	0.03	48.12	19.41	90.15	0.75	1.87	0	4
Leucomelone	CID_135457360	340.12	144.6	0.03	45.3	15.03	135.2	0.72	1.79	4	5
2-Methoxy-4,5-dihydroxybenzaldehyde	CID_54436672	412.13	144.6	0.02	22.62	11.62	66.76	0.53	0.94	1	2
Abscisic acid	CID_5280896	264.32	144.6	0.02	42.94	23.78	74.6	0.32	0.88	4	2
Pinazaphilone B	CID_122182012	416.41	150.59	0.01	57.51	28.57	130.51	0.46	0.41	7	4
Pinazaphilone A	CID_122182011	416.40	150.59	0.01	57.51	28.57	130.51	0.46	0.81	7	4
Chermesinone A	CID_53355009	168.15	135.29	0.01	47.8	27.88	63.60	0.48	1.21	4	1
Albonoursin	ChEBI:71609	256.30	34.14	missing	40.87	29.73	58.2	0.68	3.34	4	2
Hydroxy abscisic acid	ChEBI:20805	280.32	53.33	missing	43.75	23.78	94.83	0.3	0.17	5	3
Cromakalim	ChEBI:3921	286.32	34.14	missing	44.77	25.19	73.56	0.71	0.26	4	1
(7R,8R)-α-Diversonolic ester	ChEBI:68225	320.29	17.07	missing	44.44	23.24	113.29	0.61	0.23	5	3
(−)-cis-Clavicipitic acid	ChEBI:48269	270.32	52.6	missing	43.97	21.96	78.23	0.65	1.03	3	3
Ascosalitoxin	ChEBI:2870	264.31	34.14	missing	42.94	23.78	74.09	0.32	1.85	2	2