Evidence-Based Complementary and Alternative Medicine / 2022 / Article / Tab 2 / Research Article
[Retracted] Identification of Potential Poly (ADP-Ribose) Polymerase-1 Inhibitors Derived from Rauwolfia serpentina : Possible Implication in Cancer Therapy Table 2 Physicochemical properties of the selected ligands derived from R. serpentina .
Sl. no. Name Mol weight cLog P cLog S H-acceptors H-donors Polar surface area Drug-likeness Mutagenic Tumorigenic Reproductive effective Irritant Rotatable bonds 1 Serpentinine 685.842 2.4747 −6.147 9 2 100.53 1.3453 None None None None 7 2 Rescinnamine 634.723 3.9046 −4.816 11 1 117.78 0.21574 None None High None 11 3 Rescinnamidine 636.739 4.0279 −4.681 11 1 117.78 -1.0959 None None High None 12 4 Phytosterols 414.715 7.8552 −6.669 1 1 20.23 -4.475 None None None None 6 5 Ajmalimine 520.624 3.5094 −5.118 8 1 80.7 3.4909 None None None Low 7 6 Deserpidine 578.66 3.6454 −4.428 10 1 108.55 2.322 None None None None 9 7 Ajmalicine 352.433 2.2674 −3.141 5 1 54.56 2.6043 None None None None 2 8 Reserpine 608.686 3.5754 −4.446 11 1 117.78 2.322 None None High None 10 9 Renoxidine 624.685 2.602 −2.277 12 1 131.61 -2.8747 None None High None 10 10 Yohimbine 354.448 2.3512 −3.065 5 2 65.56 1.5035 None None None None 2 11 Isorauhimbine 354.448 2.3512 −3.065 5 2 65.56 1.5035 None None None None 2 12 Rauwolscine 354.448 2.3512 −3.065 5 2 65.56 1.5035 None None None None 2 13 1,2-Dihydrovomilenine 352.433 1.8244 −3.654 5 2 61.8 1.1872 None None None None 2