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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
116140 BDB-kin125278.mol2, BDB-kin125278.pdbqt 398,77 108,47 -4,19 514,603 3,7634 8 2 1 -0,7685 0,359975195043793
116141 BDB-kin125279.mol2, BDB-kin125279.pdbqt 374,1 97,89 -4,617 478,53 3,8904 7 1 0 -2,012 0,305318159468269
116142 BDB-kin125280.mol2, BDB-kin125280.pdbqt 384,51 108,47 -3,456 488,565 3,2407 8 2 0 1,3402 0,209162276399881
116143 BDB-kin125281.mol2, BDB-kin125281.pdbqt 420,22 114,27 -4,411 543,576 3,7829 9 1 1 3,3108 0,490494073347557
116144 BDB-kin125282.mol2, BDB-kin125282.pdbqt 406,77 97,47 -3,898 520,582 3,7694 8 1 1 1,8001 0,311296957314702
116145 BDB-kin125283.mol2, BDB-kin125283.pdbqt 390,86 108,47 -3,77 506,555 3,3415 8 2 1 0,46674 0,487581019582625
116146 BDB-kin125284.mol2, BDB-kin125284.pdbqt 432,48 114,27 -4,391 557,603 4,1784 9 1 1 -2,9826 0,24397834217673
116147 BDB-kin125285.mol2, BDB-kin125285.pdbqt 405,12 108,47 -4,504 532,593 3,8642 8 2 1 -0,7685 0,329055001678476
116148 BDB-kin125286.mol2, BDB-kin125286.pdbqt 417,38 117,7 -3,313 536,581 2,8897 9 2 1 -1,1589 0,300779722669071
116149 BDB-kin125287.mol2, BDB-kin125287.pdbqt 387,87 111,3 -4,862 517,535 3,6983 8 1 1 0,4934 0,401925442266014
116150 BDB-kin125288.mol2, BDB-kin125288.pdbqt 429,29 114,27 -4,833 560,031 4,2881 9 1 1 3,3396 0,420049420336189
116151 BDB-kin125289.mol2, BDB-kin125289.pdbqt 415,84 97,47 -4,32 537,037 4,2746 8 1 1 1,832 0,270412211900648
116152 BDB-kin125290.mol2, BDB-kin125290.pdbqt 399,93 108,47 -4,192 523,01 3,8467 8 2 1 0,48761 0,431414552495498
116153 BDB-kin125291.mol2, BDB-kin125291.pdbqt 441,55 114,27 -4,813 574,058 4,6836 9 1 1 -2,948 0,206854559768648
116154 BDB-kin125292.mol2, BDB-kin125292.pdbqt 414,19 108,47 -4,926 549,048 4,3694 8 2 1 -0,73482 0,281817303215398
116155 BDB-kin125293.mol2, BDB-kin125293.pdbqt 399,93 108,47 -4,192 523,01 3,8467 8 2 1 1,3532 0,17210165957406
116156 BDB-kin125294.mol2, BDB-kin125294.pdbqt 426,45 117,7 -3,735 553,036 3,3949 9 2 1 -1,1277 0,273242188405362
116157 BDB-kin125295.mol2, BDB-kin125295.pdbqt 396,94 111,3 -5,284 533,99 4,2035 8 1 1 0,53399 0,344341719339627
116158 BDB-kin125296.mol2, BDB-kin125296.pdbqt 422,94 114,27 -4,519 542,041 4,1873 9 1 1 4,6796 0,46906186502182
116159 BDB-kin125297.mol2, BDB-kin125297.pdbqt 409,49 97,47 -4,006 519,047 4,1738 8 1 1 3,172 0,311071458698539
These data are only available for scientific research purposes.