2D-QSAR Study of Indolylpyrimidines Derivative as Antibacterial against Pseudomonas aeruginosa and Staphylococcus aureus: A Comparative Approach

Table 3

Descriptors used in 2D QSAR studies.

Compound number	mol_MW	dipole	FOSA	FISA	PISA	WPSA	donorHB	EA (eV)	PSA
4a	287.3	5.2	0	109.3	423.9	0	2	0.631	57.9
4b	302.3	3.4	0	170.7	377.8	0	3.5	0.394	83.9
4c	366.2	6.9	0	109.1	375.9	77.9	2	0.747	57.9
4d	321.7	7.3	0	109.3	376.3	72.5	2	0.784	57.9
4e	319.3	4.3	0	201.0	354.2	0	4	0.428	98.5
4f	305.3	7.4	0	109.3	386.7	47.2	2	0.804	57.9
4g	301.3	5.0	89.4	109.3	368.1	0	2	0.608	57.9
4h	317.3	5.9	93.0	111.3	365.1	0	2	0.693	67.8
4i	303.3	5.1	0	164.7	382.2	0	3	0.605	80.6
4j	332.3	14.3	0	207.5	365.3	0	2	1.852	103.0
5a	303.3	4.2	0	47.1	420.0	81.2	1.8	0.721	35.2
5b	318.3	3.2	0	108.6	373.9	81.2	3.3	0.47	61.2
5c	382.2	5.7	0	46.9	371.9	159.2	1.8	0.836	35.2
5d	337.8	6.1	0	47.2	372.3	153.8	1.8	0.874	35.2
5e	335.3	3.6	0	139.3	350.5	79.9	3.8	0.507	75.8
5f	321.3	6.3	0	47.1	382.7	128.5	1.8	0.894	35.2
5g	317.4	3.9	89.4	47.2	364.2	81.2	1.8	0.696	35.2
5h	333.4	4.9	93.0	47.1	361.2	81.2	1.8	0.721	44.1
5i	319.3	4.0	0	102.6	378.2	81.2	2.8	0.692	57.9
5j	348.3	13.1	0	145.3	361.4	81.2	1.8	1.903	80.4
6a	286.3	4.3	0	113.8	422.3	0	3	0.388	60.7
6b	301.3	1.8	0	175.3	376.1	0	4.5	0.166	86.7
6c	365.2	6.3	0	113.6	374.2	77.9	3	0.511	60.7
6d	320.7	6.7	0	113.8	374.6	72.5	3	0.555	60.7
6e	318.3	5.4	0	205.3	352.7	0	5	0.204	101.3
6f	304.3	6.7	0	113.8	385.0	47.2	3	0.572	60.7
6g	300.3	3.9	89.4	113.9	366.4	0	3	0.369	60.7
6h	317.3	5.9	93.0	111.3	365.1	0	2	0.693	67.8
6i	302.3	5.4	0	169.3	380.5	0	4	0.365	83.4
6j	331.3	13.7	0	212.0	363.7	0	3	1.716	105.8