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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50089229 BDB-cJNK50089229.mol2, BDB-cJNK50089229.pdbqt 279,42 78,43 -3,817 357,456 2,1062 7 1 0 2,7161 0,615335849120884
50364376 BDB-cJNK50364376.mol2, BDB-cJNK50364376.pdbqt 318,24 97,12 -5,285 448,448 3,3719 8 3 0 -1,6026 0,315931493914804
32459 BDB-cJNK32459.mol2, BDB-cJNK32459.pdbqt 296,88 48,72 -4,381 438,752 4,4844 5 1 0 -4,5114 0,28408841059258
15988 BDB-cJNK15988.mol2, BDB-cJNK15988.pdbqt 245,36 87,14 -4,633 312,372 2,6947 6 3 0 -5,1907 0,363579017346937
15964 BDB-cJNK15964.mol2, BDB-cJNK15964.pdbqt 327,86 162,01 -4,369 434,472 0,5382 10 2 0 -4,5655 0,350105797325904
15930 BDB-cJNK15930.mol2, BDB-cJNK15930.pdbqt 253,26 101,03 -4,859 310,356 2,3456 6 2 0 -4,79 0,356815537587202
102590 BDB-cJNK102590.mol2, BDB-cJNK102590.pdbqt 384,27 84,75 -4,983 492,622 3,9288 9 1 0 0,62481 0,412315559803194
50332090 BDB-cJNK50332090.mol2, BDB-cJNK50332090.pdbqt 261,33 108,9 -2,927 347,401 1,805 6 1 0 1,8986 0,805518585974899
50194898 BDB-cJNK50194898.mol2, BDB-cJNK50194898.pdbqt 308,34 143,55 -4,565 400,458 0,9182 8 2 0 -2,3878 0,381740335498176
50194893 BDB-cJNK50194893.mol2, BDB-cJNK50194893.pdbqt 337,84 152,78 -6,279 452,49 1,4069 9 2 0 -0,87739 0,318395892705519
50334001 BDB-cJNK50334001.mol2, BDB-cJNK50334001.pdbqt 357,5 70,06 -7,405 469,587 4,9286 7 1 0 -5,3533 7,87764583825925E-02
15931 BDB-cJNK15931.mol2, BDB-cJNK15931.pdbqt 253,26 101,03 -4,859 310,356 2,3456 6 2 0 -4,79 0,356815537587202
50334000 BDB-cJNK50334000.mol2, BDB-cJNK50334000.pdbqt 371,26 70,06 -7,457 483,614 5,1233 7 1 1 -4,1476 7,48090919531788E-02
50194909 BDB-cJNK50194909.mol2, BDB-cJNK50194909.pdbqt 327,84 143,55 -5,235 436,491 1,4101 8 2 0 -1,2104 0,367629289657551
50194882 BDB-cJNK50194882.mol2, BDB-cJNK50194882.pdbqt 312,05 163,42 -4,146 415,473 -0,0117 9 3 0 0,057064 0,556538761471356
100501 BDB-cJNK100501.mol2, BDB-cJNK100501.pdbqt 304,61 62,3 -6,197 424,286 4,3098 5 1 0 3,6947 0,434096792664322
15899 BDB-cJNK15899.mol2, BDB-cJNK15899.pdbqt 262,31 96,69 -5,86 364,788 2,041 8 2 0 -10,078 0,139332118274633
100588 BDB-cJNK100588.mol2, BDB-cJNK100588.pdbqt 344,07 75,71 -7,088 481,334 5,034 6 1 1 1,6922 0,297000633419678
102594 BDB-cJNK102594.mol2, BDB-cJNK102594.pdbqt 365,77 86,52 -5,473 476,623 4,528 8 2 0 4,4906 0,436329495859882
50089224 BDB-cJNK50089224.mol2, BDB-cJNK50089224.pdbqt 331,56 108,48 -5,231 428,535 1,7104 9 3 0 -1,437 0,359280447336124
These data are only available for scientific research purposes.