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. 2016 Jun 15;12(3):192–196. doi: 10.6026/97320630012192

Table 1. Chemical properties of the top 7 chosen compounds as best docked molecules for VP40 protein.

No. PubChem CID Compound IUPAC name Properties
Mol formula Mol wt (g/mol) Log P H bond donor H bond acceptor
1 416724 [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate C9H13FN2O12P2 422.151 -4.7 6 13
2 374108 1-[3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5- methylpyrimidine-2,4-dione C11H16N2O6 272.254 -1.7 4 6
3 3851453 phenyl 2-[3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1- yl)oxolan-2-yl]acetate C17H18N2O7 362.334 -0.4 3 7
4 256623 [2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate C10H11FN2O4 242.203 -0.4 1 5
5 44149862 1-[(2R,3R,4S,5S)-5-(bromomethyl)-3,4-dihydroxyoxolan-2- yl]pyrimidine-2,4-dione C9H11BrN2O5 307.098 -1.1 3 5
6 254616 3,4-dihydroxy-5-(5-nitro-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid C9H9N3O9 303.182 -2 4 9
7 3183 5-(2-bromoethenyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione C11H13BrN2O5 333.135 -0.4 3 5