Secondary Amines Formal Charge 2

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MoleculeCAT_NO Molecular_Weight LogP DONORS ACCEPTORS ROTATION_BONDS LIPINSKI pKa Site_Name FormalCharge druglike Autodock kcal/mol XScore pKd Index
L118842 220.35 1.22 5 8 5 4 8.95 9.25 AmineTertiary AmineSecondary 2 4.54 -7.30 5.48 1
L120561 431.37 6.28 1 0 2 2 8.44 8.94 Imine AmineSecondary 2 -25.40 -9.63 7.27 2
L120952 364.47 2.42 5 1 7 4 9.67 10.09 AmineSecondary AnilineSecondary 2 -0.20 -5.74 5.54 3
L122564 400.45 1.18 5 1 8 4 9.13 9.81 AmineSecondary AnilineSecondary 2 -4.67 -3.66 5.43 4
L124583 338.47 2.31 2 0 4 4 8.71 9.14 AmineTertiary AmineSecondary 2 6.94 -9.23 5.33 5
L125199 378.50 0.24 5 1 8 4 10.08 11.93 AmineSecondary AnilineSecondary 2 5.54 -5.44 5.50 6
L126640 373.48 3.08 2 1 7 4 8.9 10.52 AmineSecondary AmineSecondary 2 -13.68 -8.04 5.56 7
L134228 538.36 3.98 2 0 6 3 9.88 9.88 AmineSecondary AmineSecondary 2 -10.45 5.77 6.24 8
L162914 367.51 5.02 2 0 0 3 4.35 4.49 4.61 8.26 AnilineTertiary AmineSecondary Imine AmineSecondary 2 4.96 -5.01 5.81 9
L163619 136.15 -1.44 2 0 2 4 9.04 10.51 AmineSecondary AmineSecondary 2 -3.29 -5.71 4.06 10
L305529 440.62 2.62 2 5 8 4 8.95 8.95 AmineSecondary AmineSecondary 2 8.45 -1.34 6.57 11
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