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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3556 3556.mol2, BDB-kin3556.pdbqt 267,27 56,27 -5,686 388,264 4,6929 5 1 0 -4,4208 0,238539915815256
3557 3557.mol2, BDB-kin3557.pdbqt 294,79 56,27 -6,226 416,318 5,6017 5 1 1 -3,3437 0,185938119124712
3558 3558.mol2, BDB-kin3558.pdbqt 322,31 56,27 -6,766 444,371 6,5105 5 1 1 -8,202 8,43156024642715E-02
3559 3559.mol2, BDB-kin3559.pdbqt 239,75 56,27 -5,086 360,21 3,8803 5 1 0 -2,7293 0,316932516511234
3560 3560.mol2, BDB-kin3560.pdbqt 239,75 56,27 -5,086 360,21 3,8803 5 1 0 -2,7293 0,316932516511234
3561 3561.mol2, BDB-kin3561.pdbqt 252,01 56,27 -4,714 374,237 4,1137 5 1 0 -2,7942 0,322652728526818
3562 3562.mol2, BDB-kin3562.pdbqt 248,27 82,29 -5,433 375,225 3,5725 6 2 0 -2,7442 0,303159723154624
3563 3563.mol2, BDB-kin3563.pdbqt 250,85 47,48 -5,564 374,237 2,9053 5 0 0 -1,1482 0,363355545874797
3564 3564.mol2, BDB-kin3564.pdbqt 262,01 65,5 -5,104 390,236 3,8103 6 1 0 -2,7293 0,308964436230087
3565 3565.mol2, BDB-kin3565.pdbqt 262,01 65,5 -5,104 390,236 3,8103 6 1 0 -2,7293 0,308964436230087
3566 3566.mol2, BDB-kin3566.pdbqt 239,75 56,27 -5,086 360,21 3,8803 5 1 0 -2,7293 0,316932516511234
3567 3567.mol2, BDB-kin3567.pdbqt 239,75 56,27 -5,086 360,21 3,8803 5 1 0 -2,7293 0,316932516511234
3568 3568.mol2, BDB-kin3568.pdbqt 258,38 56,27 -5,92 439,106 4,6055 5 1 0 -2,7293 0,228035972799044
3569 3569.mol2, BDB-kin3569.pdbqt 258,38 56,27 -5,92 439,106 4,6055 5 1 0 -2,7293 0,228035972799044
3570 3570.mol2, BDB-kin3570.pdbqt 218,16 66,49 -5,261 340,183 3,6199 5 2 0 -1,69 0,349104271160383
3571 3571.mol2, BDB-kin3571.pdbqt 230,42 66,49 -4,889 354,21 3,8533 5 2 0 -1,5842 0,363950593610136
3572 3572.mol2, BDB-kin3572.pdbqt 230,05 55,63 -4,924 354,21 3,7527 5 1 0 0,26288 0,488996723901668
3573 3573.mol2, BDB-kin3573.pdbqt 280,13 58,87 -4,052 411,306 3,3022 6 1 0 3,676 0,68344323429303
3574 3574.mol2, BDB-kin3574.pdbqt 230,05 55,63 -4,924 354,21 3,7527 5 1 0 0,26288 0,488996723901668
3575 3575.mol2, BDB-kin3575.pdbqt 280,13 58,87 -4,052 411,306 3,3022 6 1 0 3,676 0,68344323429303
These data are only available for scientific research purposes.