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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
2637 2637.mol2, BDB-kin2637.pdbqt 240,88 51,1 -3,429 336,777 2,2833 4 1 0 4,4971 0,826318146344072
2638 2638.mol2, BDB-kin2638.pdbqt 247,72 60,33 -2,711 332,358 1,6073 5 1 0 4,4377 0,526768584503402
2639 2639.mol2, BDB-kin2639.pdbqt 255,21 76,4 -3,541 348,425 2,1545 4 1 0 4,5634 0,815128326667792
2640 2640.mol2, BDB-kin2640.pdbqt 266,3 93,62 -3,11 380,423 0,6793 6 1 0 6,0066 0,837953179749991
2641 2641.mol2, BDB-kin2641.pdbqt 233,98 77,12 -2,769 317,347 1 5 2 0 4,4265 0,890275733390763
2642 2642.mol2, BDB-kin2642.pdbqt 237,72 51,1 -3,037 316,359 2,0212 4 1 0 4,3987 0,864917849438216
2643 2643.mol2, BDB-kin2643.pdbqt 240,88 51,1 -3,429 336,777 2,2833 4 1 0 4,4971 0,826318146344072
2644 2644.mol2, BDB-kin2644.pdbqt 244,09 51,1 -3,527 381,228 2,4025 4 1 0 2,674 0,764997320639764
2645 2645.mol2, BDB-kin2645.pdbqt 247,72 60,33 -2,711 332,358 1,6073 5 1 0 4,4377 0,877947640839004
2646 2646.mol2, BDB-kin2646.pdbqt 295,22 60,33 -4,99 394,429 3,0729 5 1 0 4,3921 0,622375948508691
2647 2647.mol2, BDB-kin2647.pdbqt 233,98 77,12 -2,769 317,347 1 5 2 0 4,4265 0,890275733390763
2648 2648.mol2, BDB-kin2648.pdbqt 249,13 96,92 -3,153 347,329 0,7557 7 1 0 -0,64878 0,578580761304456
2649 2649.mol2, BDB-kin2649.pdbqt 254,92 51,1 -3,471 370,329 2,5256 4 1 0 -2,726 0,424203734559428
2650 2650.mol2, BDB-kin2650.pdbqt 237,72 51,1 -3,037 316,359 2,0212 4 1 0 4,3987 0,864917849438216
2651 2651.mol2, BDB-kin2651.pdbqt 240,88 51,1 -3,429 336,777 2,2833 4 1 0 4,4971 0,826318146344072
2652 2652.mol2, BDB-kin2652.pdbqt 249,13 96,92 -3,153 347,329 0,7557 7 1 0 -0,64878 0,578580761304456
2653 2653.mol2, BDB-kin2653.pdbqt 254,92 51,1 -3,471 370,329 2,5256 4 1 0 -2,726 0,424203734559428
2654 2654.mol2, BDB-kin2654.pdbqt 249,98 51,1 -3,381 330,386 2,3651 4 1 0 4,3987 0,498203453250645
2655 2655.mol2, BDB-kin2655.pdbqt 249,98 51,1 -3,381 330,386 2,3651 4 1 0 4,3987 0,830339088751075
2656 2656.mol2, BDB-kin2656.pdbqt 256,3 51,1 -4,165 371,222 2,8893 4 1 0 4,4971 0,728260329163263
These data are only available for scientific research purposes.