Table 1.

Physicochemical properties of the selected bioactive compounds derived from R. serpentina.

Sl. no.	Ligand name	Structure	Total mol. weight	cLogP	cLogS	H-acceptors	H-donors	Polar surface area	Drug-likeness	Mutagenic	Tumorigenic	Reproductive effective	Irritant	Rotatable bonds
1	Isoajmaline		326.438	1.791	−3.484	4	2	46.94	3.4513	None	None	None	None	1
2	Ajmalicidine		370.447	3.0403	−3.438	6	1	63.93	2.2403	None	None	None	None	2
3	Sarpagine		310.396	2.4395	−2.632	4	3	59.49	2.0345	None	None	None	None	1
4	Ajmalinimine		410.512	2.1468	−4.578	6	1	70.08	3.6292	None	None	None	None	4
5	Indoline		119.166	1.3351	−2.025	1	1	12.03	0.19917	None	None	None	None	0
6	Indobinine		271.359	3.6202	−4.091	3	1	42.09	−7.331	None	None	None	None	5
7	1,2-Dihydrovomilenine		352.433	1.8244	−3.654	5	2	61.8	1.1872	None	None	None	None	2
8	Alloyohimbine		354.448	2.3512	−3.065	5	2	65.56	1.5035	None	None	None	None	2
9	Ajmaline		326.438	1.791	−3.484	4	2	46.94	3.4513	None	None	None	None	1
10	Ajmalicine		352.433	2.2674	−3.141	5	1	54.56	2.6043	None	None	None	None	2
11	Papaverine		339.39	3.443	−4.234	5	0	49.81	−1.7454	None	None	None	None	6
12	Ajmaline		326.438	1.791	−3.484	4	2	46.94	3.4513	None	None	None	None	1
13	Rauwolscine		354.448	2.3512	−3.065	5	2	65.56	1.5035	None	None	None	None	2
14	Isorauhimbine		354.448	2.3512	−3.065	5	2	65.56	1.5035	None	None	None	None	2
15	3,4,5-Trimethoxybenzoic acid		212.2	0.9347	−1.683	5	1	64.99	−1.597	None	Low	None	None	4
16	Benzyl 3-indole propionate		279.338	3.4826	−3.84	3	1	42.09	−3.2296	None	None	None	None	6
17	Yohimbine		354.448	2.3512	−3.065	5	2	65.56	1.5035	None	None	None	None	2