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Ethanol has an Ionisation potential (IP) of 10.5 eV vs. 9.3 eV for ethanethiol and diethyl ether has an IP of 9.5 vs. 8.4 for diethylsulphide [32].
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This has led to the introduction of the concept of lead-like chemical space where the molecular descriptors used generally have lower cut-off values than for drug-like chemical space [38,39
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These include aliphatic thioesters, sulphonate esters, sulphur-sulphur single bonds, nitrogen-sulphur single bonds, thioureas, thiols, and thiazolidine-2,4-diones [11,12,41
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These include aliphatic thioesters, sulphonate esters, sulphur-sulphur single bonds, nitrogen-sulphur single bonds, thioureas, thiols, and thiazolidine-2,4-diones [11,12,41].
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The possibility of difficult synthetic routes and metabolic instability of compounds containing bromine and iodine can also play a role
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The possibility of difficult synthetic routes and metabolic instability of compounds containing bromine and iodine can also play a role.
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