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Table 6 All descriptors are generated by the Quickprop software of Schrödinger

From: Hybrid caffeic acid derivatives as monoamine oxidases inhibitors: synthesis, radical scavenging activity, molecular docking studies and in silico ADMET analysis

Sr. no Mol. wt TPSA No. of rotatable bonds DonorHB AccptHB QPlogPo/w QPlogBB QPPMDCK QPPCaco
1. 334.71 115.38 4 3 5 1.773 − 2.173 36.004 38.398
2. 334.71 115.38 4 3 5 2.391 1.258 263.91 226.62
3. 334.17 69.55 3 3 4 3.31 1.363 32.746 78.746
4. 273.26 69.55 3 3 4 2.061 1.307 176.66 226.74
5. 305.33 69.55 3 3 4 2.786 1.476 120.18 270.07
6. 314.29 93.07 6 2 6 1.498 2.105 35.928 88.37
7. 326.35 76.00 7 2 4 3.421 1.451 222.06 476.59
8. 312.37 66.76 5 2 4 3.578 1.216 258.22 547.98
9. 272.26 86.99 4 3 4 1.546 1.759 57.484 136.50
10. 207.23 69.55 3 3 4 1.086 1.233 147.94 327.31
11. 306.32 66.76 4 2 4 3.217 1.222 208.85 450.32
12. 318.41 66.76 5 2 3 3.783 1.237 225.48 483.39