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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
116160 BDB-kin125298.mol2, BDB-kin125298.pdbqt 393,58 108,47 -3,878 505,02 3,7459 8 2 1 1,8276 0,538889975740845
116161 BDB-kin125299.mol2, BDB-kin125299.pdbqt 435,2 114,27 -4,499 556,068 4,5828 9 1 1 -1,608 0,253766078221183
116162 BDB-kin125300.mol2, BDB-kin125300.pdbqt 407,84 108,47 -4,612 531,058 4,2686 8 2 1 0,60518 0,387367294700815
116163 BDB-kin125301.mol2, BDB-kin125301.pdbqt 393,58 108,47 -3,878 505,02 3,7459 8 2 1 2,6932 0,201832277148087
116164 BDB-kin125302.mol2, BDB-kin125302.pdbqt 420,1 117,7 -3,421 535,046 3,2941 9 2 1 0,21228 0,366135957824601
116165 BDB-kin125303.mol2, BDB-kin125303.pdbqt 452,67 123,33 -6,342 584,694 5,6137 9 2 2 -56,895 0,129039555674743
116166 BDB-kin125304.mol2, BDB-kin125304.pdbqt 374,79 111,02 -5,042 484,577 3,8561 7 2 0 -1,558 0,297118104364711
116167 BDB-kin125305.mol2, BDB-kin125305.pdbqt 462,77 123,77 -5,163 600,693 4,9994 10 1 1 -33,609 0,16829684887779
116168 BDB-kin125306.mol2, BDB-kin125306.pdbqt 388,99 106,26 -4,141 500,576 3,3404 8 2 1 1,2272 0,520230638396185
116169 BDB-kin125307.mol2, BDB-kin125307.pdbqt 425,25 114,54 -5,092 556,64 5,1155 9 1 2 -35,964 0,181484237562663
116170 BDB-kin125308.mol2, BDB-kin125308.pdbqt 351,47 97,03 -4,07 456,524 3,4565 7 2 0 -0,92014 0,409355666427774
116171 BDB-kin125309.mol2, BDB-kin125309.pdbqt 462,77 123,77 -5,163 600,693 4,9994 10 1 1 -35,629 0,168296848877789
116172 BDB-kin125310.mol2, BDB-kin125310.pdbqt 388,99 106,26 -4,141 500,576 3,3404 8 2 1 -0,79862 0,384400951356054
116173 BDB-kin125311.mol2, BDB-kin125311.pdbqt 452,77 114,54 -5,632 584,694 5,7995 9 1 2 -36,062 0,139613341361296
116174 BDB-kin125312.mol2, BDB-kin125312.pdbqt 378,99 97,03 -4,61 484,577 4,1405 7 2 0 -1,3556 0,316454051554934
116175 BDB-kin125313.mol2, BDB-kin125313.pdbqt 426,08 114,54 -5,075 556,64 5,0533 9 1 2 -36,154 0,183925746968016
116176 BDB-kin125314.mol2, BDB-kin125314.pdbqt 352,3 97,03 -4,053 456,524 3,3943 7 2 0 -1,1502 0,397896247303406
116177 BDB-kin125315.mol2, BDB-kin125315.pdbqt 426,08 114,54 -5,293 556,64 5,1087 9 1 2 -35,72 0,175573773790165
116178 BDB-kin125316.mol2, BDB-kin125316.pdbqt 352,3 97,03 -4,271 456,524 3,4497 7 2 0 -0,68516 0,415041130664272
116179 BDB-kin125317.mol2, BDB-kin125317.pdbqt 373,3 88,24 -4,596 507,424 4,4786 7 1 1 1,0642 0,419215885389776
These data are only available for scientific research purposes.