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Records 1361 to 1380 of 1515
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50412094 BDB-cJNK50412094.mol2, BDB-cJNK50412094.pdbqt 300,69 163,78 -4,153 404,446 -0,1498 9 3 0 -2,2116 0,409462399950605
100565 BDB-cJNK100565.mol2, BDB-cJNK100565.pdbqt 387,88 114,63 -7,599 528,951 4,591 9 1 1 2,7968 0,293835575565989
50358520 BDB-cJNK50358520.mol2, BDB-cJNK50358520.pdbqt 325,92 86,47 -6,893 445,44 4,9479 6 2 0 -19,947 8,51129268050131E-02
50211428 BDB-cJNK50211428.mol2, BDB-cJNK50211428.pdbqt 345,5 85,94 -5,972 440,549 4,3458 7 3 0 5,8343 0,264454416546933
100593 BDB-cJNK100593.mol2, BDB-cJNK100593.pdbqt 389,54 117,28 -7,108 547,492 3,878 9 2 1 -5,352 9,97240503217115E-02
100611 BDB-cJNK100611.mol2, BDB-cJNK100611.pdbqt 349,32 76,58 -7,606 472,931 4,7806 7 1 0 2,7008 0,31792566692114
50194856 BDB-cJNK50194856.mol2, BDB-cJNK50194856.pdbqt 296,1 143,55 -4,798 400,458 0,7357 8 2 0 -0,41186 0,475701905862602
50089234 BDB-cJNK50089234.mol2, BDB-cJNK50089234.pdbqt 293,54 99,25 -4,846 372,471 1,725 8 3 0 0,41702 0,551358026335057
50402836 BDB-cJNK50402836.mol2, BDB-cJNK50402836.pdbqt 335,79 92,37 -4,816 472,536 2,554 7 0 0 3,9677 0,581441928145738
104970 BDB-cJNK104970.mol2, BDB-cJNK104970.pdbqt 368,37 118,89 -6,956 492,602 2,8387 9 2 0 -1,3555 0,244373548427375
15918 BDB-cJNK15918.mol2, BDB-cJNK15918.pdbqt 275,55 119,76 -4,245 383,855 1,188 7 2 0 1,7764 0,333249935558178
100509 BDB-cJNK100509.mol2, BDB-cJNK100509.pdbqt 394,37 108,06 -6,959 551,065 3,523 8 1 1 8,0169 0,344269390448985
100510 BDB-cJNK100510.mol2, BDB-cJNK100510.pdbqt 346,12 85,77 -6,546 474,947 3,5967 7 2 0 5,8455 0,416544626649371
100441 BDB-cJNK100441.mol2, BDB-cJNK100441.pdbqt 375,62 114,63 -5,682 514,924 3,999 9 1 1 1,5747 0,384625215227975
50338291 BDB-cJNK50338291.mol2, BDB-cJNK50338291.pdbqt 279,48 119,22 -5,506 432,301 2,3737 7 2 0 -0,75086 0,371542809372794
15915 BDB-cJNK15915.mol2, BDB-cJNK15915.pdbqt 239,76 113,92 -3,07 297,317 0,4147 7 2 0 -4,5106 0,4519966174924
100594 BDB-cJNK100594.mol2, BDB-cJNK100594.pdbqt 378,55 157,14 -6,047 560,508 2,8388 10 2 1 -3,3179 0,12297577945031
100511 BDB-cJNK100511.mol2, BDB-cJNK100511.pdbqt 375,79 74,77 -6,944 503 4,3666 7 1 1 5,9712 0,34626564719256
50358525 BDB-cJNK50358525.mol2, BDB-cJNK50358525.pdbqt 290,99 86,47 -6,106 403,359 3,8017 6 2 0 -7,1625 0,116748497885871
50402837 BDB-cJNK50402837.mol2, BDB-cJNK50402837.pdbqt 354,67 75,71 -6,855 474,943 5,1875 6 1 1 1,9495 0,304505075139783
These data are only available for scientific research purposes.