NVIK Physicochemical Properties

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NVIK Physicochemical Properties

Table: Selected Physicochemical Properties of NVI's molecules

NVI's Molecule	Compound ID	H-bond Acceptor	H-bond Donor	No. of rotatable bonds	TopoPSA	Molecular Weight (g/mol)	XLogP
*NVIC0001*	NVIC0001	10	3	8	330.26	531.202	-6.1
*NVIC0002*	NVIC0002	10	4	14	213.36	602.585	2.1
*NVIC0003*	NVIC0003	7	4	3	140.97	284.232	-2.1
*NVIC0004*	NVIC0004	4	2	1	89.10	157.104	-0.3
*NVIC0005*	NVIC0005	11	1	9	82.19	549.424	4.74
*NVIC0006*	NVIC0006	10	1	9	78.95	548.436	5.38
*NVIC0007*	NVIC0007	11	1	9	82.19	561.435	4.86
*NVIC0008*	NVIC0008	10	2	7	95.74	531.409	4.02
*NVIC0009*	NVIC0009	8	1	6	49.41	408.805	6.18
*NVIC0010.1*	NVIC0010.1	6	3	2	103.70	233.179	1.46
*NVIC0010.2*	NVIC0010.2	6	3	2	103.70	233.179	1.46
*NVIC0011*	NVIC0011	6	0	4	97.64	484.581	6.63
*NVIC0012*	NVIC0012	7	0	3	54.45	461.439	7.66
*NVIC0013*	NVIC0013	4	1	4	97.63	353.398	4.37
*NVIC0014*	NVIC0014	6	1	4	97.63	337.305	2.78
*NVIC0015*	NVIC0015	7	0	4	119.76	372.483	1.71
*NVIC0016*	NVIC0016	6	2	8	64.68	476.6	10.1
*NVIC0017*	NVIC0017	6	0	3	74.76	484.6	5.4
*NVIC0018*	NVIC0018	7	2	7	104.74	479.502	5.47
*NVIC0019*	NVIC0019	7	4	3	143.72	244.207	-3
*NVIC0020*	NVIC0020	7	5	3	130.83	267.241	-1.8
*NVIC0021*	NVIC0021	8	6	3	161.92	259.218	-1.6
*NVIC0022*	NVIC0022	6	3	3	131.72	296.345	0.05
*NVIC0023*	NVIC0023	8	4	2	131.69	245.191	-1.9
*NVIC0024*	NVIC0024	8	2	1	131.68	326.385	-2.1
*NVIC0025*	NVIC0025	2	0	4	9.49	372.5	5.51
*NVIC0026*	NVIC0026	1	0	7	6.25	385.6	8.33
*NVIC0027*	NVIC0027	6	4	11	124.44	384.243	3.23
*NVIC0028*	NVIC0028	8	3	18	113.60	475.63	6.81
*NVIC0029*	NVIC0029	8	3	7	126.68	523.63	4.48
*NVIC0030*	NVIC0030	3	0	3	63.60	289.348	2.58
*NVIC0031*	NVIC0031	7	2	6	72.42	460.46	8.9
*NVIC0032*	NVIC0032	8	2	6	86.44	418.432	6.53
*NVIC0033*	NVIC0033	5	2	8	116.06	307.352	1.67
*NVIC0034*	NVIC0034	5	2	8	116.06	307.352	1.63
*NVIC0035*	NVIC0035	6	3	5	82.59	388.402	6.03
*NVIC0036*	NVIC0036	4	1	9	37.39	508.909	5.12
*NVIC0037*	NVIC0037	3	0	6	12.47	459.967	6.5
*NVIC0038*	NVIC0038	3	1	6	46.17	315.4	6.81
*NVIC0039*	NVIC0039	6	4	7	107.46	391.4	4.02
*NVIC0040*	NVIC0040	6	2	6	92.70	349.3	5.12
*NVIC0041*	NVIC0041	7	3	3	156.24	383.4	1.68
*NVIC0042*	NVIC0042	4	2	6	100.45	376.4	4.23
*NVIC0043*	NVIC0043	6	3	8	116.66	446.5	4.72
*NVIC0044*	NVIC0044	3	1	8	28.16	515.9	4.14
*NVIC0045*	NVIC0045	7	0	7	110.57	541.4	6.1
*NVIC0046*	NVIC0046	7	2	6	104.57	414.5	1.99
*NVIC0047*	NVIC0047	6	3	2	107.71	250.3	1.19
*NVIC0048*	NVIC0048	3	1	8	28.16	319.877	4.14
*NVIC0049*	NVIC0049	2	1	5	35.25	225.098	4.45
*NVIC0050*	NVIC0050	2	2	2	40.46	222.328	4.46
*NVIC0051*	NVIC0051	10	0	37	111.68	684.987	8.92
*NVIC0052*	NVIC0052	5	0	4	106.02	314.257	2.89
*NVIC0053*	NVIC0053	9	5	22	153.75	709.018	7.69
*NVIC0054*	NVIC0054	10	7	4	168.94	493.553	0.16
*NVIC0055*	NVIC0055	12	2	17	171.96	650.762	5.1
*NVIC0056*	NVIC0056	4	0	0	24.94	446.72	7.08
*NVIC0057*	NVIC0057	8	2	10	99.88	567.05	3.24
*NVIC0058*	NVIC0058	3	2	3	63.32	171.24	1.39
*NVIC0059*	NVIC0059			0	0.00	245.255
*NVIC0060*	NVIC0060	6	1	12	67.45	495.639	6.43
*NVIC0061*	NVIC0061	6	1	6	107.77	346.339	3.91
*NVIC0062*	NVIC0062	4	0	2	40.62	312.413	3.65
*NVIC0063*	NVIC0063	8	0	4	61.86	622.762	6.09
*NVIC0064*	NVIC0064	5	0	13	63.95	454.611	4.71
*NVIC0065*	NVIC0065	6	3	5	136.51	299.763	0.76
*NVIC0066*	NVIC0066	6	4	2	159.29	229.628	-1.1
*NVIC0067*	NVIC0067	7	5	6	142.80	319.753	2.35
*NVIC0068*	NVIC0068	11	4	10	153.37	670.881	3.36
*NVIC0069*	NVIC0069	4	2	2	58.20	252.273	4.71
*NVIC0070*	NVIC0070	5	3	9	68.36	413.606	5.62
*NVIC0071*	NVIC0071	23	5	15	278.80	1202.63	8.4
*NVIC0072*	NVIC0072	2	1	15	37.30	282.468	8.19
*NVIC0073*	NVIC0073	3	0	8	12.47	303.83	6.54
*NVIC0074*	NVIC0074	8	3	17	130.36	616.825	6.51
*NVIC0075*	NVIC0075	8	5	6	144.52	516.546	5.12
*NVIC0076*	NVIC0076	5	1	9	58.64	464.65	6.17
*NVIC0077*	NVIC0077	2	2	6	40.46	400.647	7.93
*NVIC0078*	NVIC0078	3	1	8	32.70	387.523	8.73
*NVIC0079*	NVIC0079	28	14	22	514.53	1084.23	-0.4
*NVIC0080*	NVIC0080	26	14	37	413.78	1060.22	0.1
*NVIC0081*	NVIC0081	5	0	0	58.44	194.194	-0.6
*NVIC0082*	NVIC0082	1	1	6	20.23	384.648	9.89
*NVIC0083*	NVIC0083	2	0	4	17.82	344.842	8.55
*NVIC0084*	NVIC0084	3	2	6	41.49	259.349	4.05
*NVIC0085*	NVIC0085	6	3	3	144.61	297.334	-0.4
*NVIC0086*	NVIC0086	8	1	9	82.88	530.446	2.57
*NVIC0087*	NVIC0087	2	1	3	69.62	295.382	4.64
*NVIC0088*	NVIC0088	3	2	4	53.09	203.237	2.39
*NVIC0089*	NVIC0089	12	8	10	207.27	445.429	-2.7
*NVIC0090*	NVIC0090	18	8	11	337.24	665.441	-5.3
*NVIC0091*	NVIC0091	1	0	0	66.20	255.738	0
*NVIC0092*	NVIC0092	4	1	5	140.62	256.027	-3.6
*NVIC0093*	NVIC0093			0	0.00	55.845	0
*NVIC0094*	NVIC0094	12	6	5	206.07	543.519	-1.6
*NVIC0095*	NVIC0095	2	2	0	80.48	135.126	-0.6
*NVIC0096*	NVIC0096	6	5	2	150.40	267.241	-1.8
*NVIC0097*	NVIC0097	2	2	5	40.46	402.663	8.55
*NVIC0098*	NVIC0098	5	4	2	149.92	291.267	-2

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