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Fig. 6 | Journal of Cheminformatics

Fig. 6

From: SIME: synthetic insight-based macrolide enumerator to generate the V1B library of 1 billion macrolides

Fig. 6

Comparison between density plots of V1B and MacrolactoneDB for molecular properties: a MW—molecular weight, b MolLogP—calculated water/octanol partition coefficient, c TPSA—topological polar surface area, d HBA—hydrogen bond acceptors, e HBD—hydrogen bond donors, f NRB—rotatable bonds. Green rectangles indicate values within druglike regions based on Lipinski and Veber’s rules

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