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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
111694 BDB-kin115669.mol2, BDB-kin115669.pdbqt 310,82 91,4 -2,391 380,494 2,1164 7 2 0 0,23735 0,662343360194534
111695 BDB-kin115670.mol2, BDB-kin115670.pdbqt 316,87 114,1 -3,67 404,473 1,8452 8 2 0 3,0185 0,452024662123951
111696 BDB-kin115671.mol2, BDB-kin115671.pdbqt 319,99 71,17 -3,344 390,533 3,2305 6 1 0 4,4688 0,758206529419417
111697 BDB-kin115672.mol2, BDB-kin115672.pdbqt 285,36 97,03 -3,259 362,436 1,6538 7 2 0 4,3777 0,831250166536735
111698 BDB-kin115673.mol2, BDB-kin115673.pdbqt 299,12 97,03 -3,418 376,463 2,0694 7 2 0 4,1851 0,803011047666071
111699 BDB-kin115674.mol2, BDB-kin115674.pdbqt 295,44 63,17 -3,211 351,453 2,8516 6 1 0 0,02678 0,615149530892185
111700 BDB-kin115675.mol2, BDB-kin115675.pdbqt 279,53 74,17 -3,083 337,426 2,4237 6 2 0 0,39769 0,676526175386621
111701 BDB-kin115676.mol2, BDB-kin115676.pdbqt 310,55 88,24 -2,874 378,478 2,2035 7 1 0 2,4424 0,799403483890262
111702 BDB-kin115677.mol2, BDB-kin115677.pdbqt 350,13 91,48 -2,443 433,558 2,2819 8 1 0 5,9694 0,788093253313849
111703 BDB-kin115678.mol2, BDB-kin115678.pdbqt 360,63 91,48 -2,297 435,574 1,9033 8 1 0 2,3387 0,762920300425767
111704 BDB-kin115679.mol2, BDB-kin115679.pdbqt 336,97 106,26 -3,157 408,504 1,8445 8 2 0 0,20985 0,619727065901347
111705 BDB-kin115680.mol2, BDB-kin115680.pdbqt 313,21 97,03 -3,536 378,478 2,3433 7 2 0 2,1317 0,751578204786964
111706 BDB-kin115681.mol2, BDB-kin115681.pdbqt 337,57 97,47 -2,941 420,515 2,1725 8 1 0 0,81171 0,668147289188702
111707 BDB-kin115682.mol2, BDB-kin115682.pdbqt 324,31 88,24 -3,174 392,505 2,6098 7 1 0 2,9652 0,77586485168096
111708 BDB-kin115683.mol2, BDB-kin115683.pdbqt 349,53 100,27 -2,659 421,547 1,6368 8 2 0 3,7623 0,79903317484227
111709 BDB-kin115684.mol2, BDB-kin115684.pdbqt 299,45 97,03 -3,266 364,452 1,8889 7 2 0 2,0895 0,785122549320481
111710 BDB-kin115685.mol2, BDB-kin115685.pdbqt 354,49 97,03 -4,346 420,559 3,7065 7 2 0 -9,4589 0,19106360585459
111711 BDB-kin115686.mol2, BDB-kin115686.pdbqt 354,99 97,03 -4,592 432,57 3,3454 7 2 0 -0,5703 0,423800773737791
111712 BDB-kin115687.mol2, BDB-kin115687.pdbqt 335,77 100,27 -2,389 407,52 1,1824 8 2 0 3,3306 0,822515386788127
111713 BDB-kin115688.mol2, BDB-kin115688.pdbqt 336,97 106,26 -3,157 408,504 1,8445 8 2 0 1,5425 0,728143230353749
These data are only available for scientific research purposes.