Table 7.
SASA,SASAd, SASAr and ΔSASAdr of compounds of the first set
| S.N. | | SASA | |  | | Binding Site | | Catalytic Site | Val | Ile | | Asp | Thr | Gly | | Substituent-R | | Substituent-X | | Substituent-Y | | Substituent-Z | | SASAr = 17.28 | SASAr = 24.16 | | SASAr = 20.69 | SASAr = 15.66 | SASAr = 0 | | SASAH | SASAR | | SASAH | SASAX | | SASAH | SASAY | | SASAH | SASAZ | | ΔSASAdr | ΔSASAdr | | ΔSASAdr | ΔSASAdr | ΔSASAdr | | 1 | | 220.62 | | 174.78 | 45.85 | | 220.62 | 0.00 | | 212.52 | 8.10 | | 212.54 | 8.08 | | 28.57 | 21.69 | | 25.16 | 30.19 | ----- | | 2 | | 234.86 | | 192.21 | 42.65 | | 234.86 | 0.00 | | 226.78 | 8.08 | | 208.27 | 26.59 | | 25.37 | 18.49 | | 21.96 | 26.99 | ----- | | 3 | | 247.04 | | 195.96 | 51.08 | | 247.04 | 0.00 | | 239.18 | 7.86 | | 218.10 | 28.94 | | 33.80 | 26.92 | | 30.39 | 35.42 | ----- | | 4 | | 247.07 | | 192.35 | 54.72 | | 247.07 | 0.00 | | 237.92 | 9.15 | | 226.11 | 20.96 | | 37.44 | 30.56 | | 34.03 | 39.06 | ----- | | 5 | | 233.90 | | 191.55 | 42.36 | | 233.90 | 0.00 | | 217.06 | 16.84 | | 219.56 | 14.34 | | 25.08 | 18.20 | | 21.67 | 26.70 | ----- | | 6 | | 230.66 | | 190.56 | 40.09 | | 230.66 | 0.00 | | 227.66 | 3.00 | | 211.84 | 18.82 | | 22.81 | 15.93 | | 19.40 | 24.43 | ----- | | 7 | | 231.08 | | 188.72 | 42.36 | | 231.08 | 0.00 | | 226.30 | 4.78 | | 206.95 | 24.13 | | 25.08 | 18.20 | | 21.67 | 26.70 | ----- | | 8 | | 240.17 | | 191.60 | 48.57 | | 240.17 | 0.00 | | 232.63 | 7.54 | | 216.63 | 23.54 | | 31.29 | 24.41 | | 27.88 | 32.91 | ----- | | 9 | | 244.21 | | 192.96 | 51.24 | | 244.21 | 0.00 | | 230.23 | 13.98 | | 220.44 | 23.77 | | 33.96 | 27.08 | | 30.55 | 35.58 | ----- | | 10 | | 257.24 | | 208.38 | 48.86 | | 257.24 | 0.00 | | 230.84 | 26.40 | | 236.43 | 20.81 | | 31.58 | 24.70 | | 28.17 | 33.20 | ----- | | 11 | | 249.78 | | 207.76 | 42.02 | | 249.78 | 0.00 | | 220.52 | 29.26 | | 235.09 | 14.69 | | 24.74 | 17.86 | | 21.33 | 26.36 | ----- | | 12 | | 251.20 | | 196.86 | 54.34 | | 251.20 | 0.00 | | 237.28 | 13.92 | | 223.30 | 27.90 | | 37.06 | 30.18 | | 33.65 | 38.68 | ----- | | 13 | | 257.99 | | 210.81 | 47.17 | | 257.99 | 0.00 | | 225.50 | 32.49 | | 232.14 | 25.85 | | 29.89 | 23.01 | | 26.48 | 31.51 | ----- | | 14 | | 264.17 | | 202.17 | 62.00 | | 264.17 | 0.00 | | 239.92 | 24.25 | | 240.75 | 23.42 | | 44.72 | 37.84 | | 41.31 | 46.34 | ----- | | 15 | | 249.16 | | 213.92 | 35.24 | | 249.30 | -0.14 | | 221.87 | 27.29 | | 232.86 | 16.30 | | 17.96 | 11.08 | | 14.55 | 19.58 | ----- | | 16 | | 261.52 | | 216.47 | 45.05 | | 253.96 | 7.56 | | 232.31 | 29.21 | | 236.48 | 25.04 | | 27.77 | 20.89 | | 24.36 | 29.39 | ----- | | 17 | | 245.27 | | 202.48 | 42.80 | | 245.27 | 0.00 | | 231.08 | 14.19 | | 223.11 | 22.16 | | 25.52 | 18.64 | | 22.11 | 27.14 | ----- | | 18 | | 247.64 | | 205.52 | 42.11 | | 247.64 | 0.00 | | 228.85 | 18.79 | | 228.50 | 19.14 | | 24.83 | 17.95 | | 21.42 | 26.45 | ----- | | |
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