Abstract: Quantitative structure activity relationship study on novel checkpoint kinase 1 (Chk1) inhibitors of 4’-(6,7-disubstituted-2,4-dihydro-indeno [1,2-c] pyrazol-3-yl)-biphenyl-4-ol were carried out to find out the role of physicochemical properties on biological activity. The compounds were energy minimized and optimized in V-Life MDS software to calculate its physicochemical descriptors. These quantitative correlations are shown as correlation coefficient (r2= 0.8174), cross correlated correlation coefficient (q2= 0.6887) and F test= 64.9066 etc. The significant equation was obtained by using Partial Least Square regression (stepwise forward) and validated by LOO and test method using VALSTAT software. The SaaNHE-index and SsOHE-index descriptors positively contributed for the activity. The study concluded that –NH groups connected with two aromatic rings is the substituents to be introduced on the general structures and number of carbon atoms connected to the aromatic ring should be removed to increase the potency.