Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Articles Article Faculty Publications -Articles Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Solvent polarity, structural and electronic properties with different solvents and biological studies of 3,3,5-triphenylfuran-2(3H)-one- cancers of the blood cells Subject The topic of the resource ADMET; Anti cancer; DFT; Solvent effect; Topology Description An account of the resource The current work comprises synthesis, characterization and computational evaluation on 3,3,5-triphenylfuran-2(3H)-one with density functional theory (DFT) as the underlying principle. The theoretical optimized structure and corresponding geometrical parameters were obtained. Multiwfn 3. 8 was employed to conduct topological investigations such as R D G, E L F, L O L, and charge transfer analyses, which are used to identify the excited states, non-covalent interactions and important bonding regions in the molecule. Effect of solvents on the variation in molecular properties were studied with different polar solvents, with the IEFPCM model, as furanones interact with more polar solvents. The solvation studies were shown to impact on F M O, UV, M E P, and NLO analysis and thus between gas and solvent phases, a variation is observed in the properties under study. N B O studies were analysed to identify the natural bond orbitals within the molecule that contribute the maximum to the stabilization energy of the title compound. Pharmacological evaluation using readily available online tools that include SwissADME, Pre-ADMET, GUSAR, and ADMETLab 2.0 to determine the medicinal chemistry properties of the molecule was done. Furthermore, molecular docking onto chosen anticancer protein targets is performed utilising the softwares AutoDock Suite. PyMOL,and Discovery Studio Visualizer, is used to determine the best docked conformations that suggest potential capability of the compound to inhibit these proteins and protect the body from cancerous growths. 2022 Elsevier B.V. Creator An entity primarily responsible for making the resource Cherian Parakkal S.; Datta R.; Saral A.; Muthu S.; Irfan A.; Jeelani A. Source A related resource from which the described resource is derived Journal of Molecular Liquids, Vol-368 Publisher An entity responsible for making the resource available Elsevier B.V. Date A point or period of time associated with an event in the lifecycle of the resource 2022-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1016/j.molliq.2022.120674" target="_blank" rel="noreferrer noopener">https://doi.org/10.1016/j.molliq.2022.120674</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85141912073&amp;doi=10.1016%2Fj.molliq.2022.120674&amp;partnerID=40&amp;md5=6d252337d9bcdbff8ed590ae53e9d3af" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85141912073&amp;doi=10.1016%2fj.molliq.2022.120674&amp;partnerID=40&amp;md5=6d252337d9bcdbff8ed590ae53e9d3af</a> Rights Information about rights held in and over the resource Restricted Access Relation A related resource ISSN: 1677322; CODEN: JMLID Format The file format, physical medium, or dimensions of the resource Online Language A language of the resource English Type The nature or genre of the resource Article Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Cherian Parakkal S., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Datta R., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Saral A., Department of Chemistry, Panimalar Engineering, Tamil Nadu, Chennai, 600 123, India; Muthu S., Department of Physics, Arignar Anna Govt. Arts College, 604407 Tamil Nadu, Cheyyar, India; Irfan A., Research Center for Advanced Materials Science (RCAMS), King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia, Department of Chemistry, College of Science, King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia; Jeelani A., Department of Physics, Lakshmi Bangaru Arts and Science College, Melmaruvathur 603319, Tamil Nadu, India