Secondary Amines Formal Charge 0

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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
L100382 398.54 4.84 3 2 9 4 3.36 10.1 AmineSecondary AmineSecondary 0 7.37 -4.00 5.90 1
L117412 289.33 1.56 3 3 6 4 4 9.52 AnilineTertiary AmineSecondary 0 4.38 -7.38 5.08 2
L117420 315.37 2.42 3 3 8 4 2.59 9.52 AnilineTertiary AmineSecondary 0 8.42 -7.46 5.30 3
L164003 127.14 0.42 2 2 3 4 9.68 AmineSecondary 0 11.72 -5.46 4.71 4
L198250 315.37 2.02 3 3 6 4 4.11 9.52 AnilineTertiary AmineSecondary 0 3.41 -6.78 5.55 5
L198269 331.37 1.15 4 4 7 4 4.11 8.83 AnilineTertiary AmineSecondary 0 4.91 -7.71 5.22 6
L198293 356.42 1.80 3 3 4 4 3.58 4.11 8.25 AmineTertiary AnilineTertiary AmineSecondary 0 13.80 -7.71 5.39 7
L199397 301.34 1.97 3 3 6 4 3.1 9.52 AnilineTertiary AmineSecondary 0 4.28 -7.02 5.28 8
L199400 317.34 0.54 4 4 7 4 3.1 8.83 AnilineTertiary AmineSecondary 0 5.77 -7.53 4.76 9
L199435 342.39 2.30 3 3 4 4 3.1 3.58 8.25 AnilineTertiary AmineTertiary AmineSecondary 0 14.67 -8.47 5.30 10
L300764 213.20 0.33 2 2 5 4 9.45 AmineSecondary 0 7.69 -5.18 4.30 11
L348562 477.55 2.31 2 5 5 4 3.61 8.25 AmineTertiary AmineSecondary 0 13.50 1.51 5.34 12
L348570 466.49 1.61 2 6 4 4 3.46 8.25 AmineTertiary AmineSecondary 0 -5.05 -0.74 5.40 13
L348589 481.54 1.08 2 6 6 4 3.54 8.25 AmineTertiary AmineSecondary 0 8.42 -2.04 5.34 14
L348597 490.38 3.21 2 4 4 4 3.59 8.25 AmineTertiary AmineSecondary 0 0.25 -4.21 6.37 15
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