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Table 2 Molecular properties of best compounds predicted by Molinspiration tool such as logP, TPAS (topo polar surface area), MW (molecular weight), nON (hydrogen acceptor), nOHNH (hydrogen donor), nviolations, nrotb (rotatable bond), and volume

From: Discovery of novel L-type voltage-gated calcium channel blockers and application for the prevention of inflammation and angiogenesis

ZINC ID Parameters
miLogP TPSA MW nON nOHNH nviolations nrotb Volume
Zinc67664832 − 0.26 128.10 437.90 9 4 0 12 384.13
Zinc20267861 3.49 102.97 485.36 8 2 0 12 414.34
Zinc18204217 − 0.98 123.39 501.97 8 2 1 5 383.76
Zinc38735350 − 0.41 138.39 469.97 9 7 1 14 419.62
Zinc33254827 2.82 82.46 395.46 7 1 0 6 365.40
Amlodipine (Query) − 0.45 101.51 409.89 7 4 0 10 364.70