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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
27796 BDB-cJNK27796.mol2, BDB-cJNK27796.pdbqt 346,6 138,26 -7,022 475,483 3,409 10 4 0 2,2367 0,306131207081691
27806 BDB-cJNK27806.mol2, BDB-cJNK27806.pdbqt 409,94 150,73 -6,212 560,588 2,6715 12 4 2 2,2522 0,178014055794611
100522 BDB-cJNK100522.mol2, BDB-cJNK100522.pdbqt 377,35 68,78 -6,098 502,016 4,0782 7 1 1 7,7676 0,400380022773701
50172920 BDB-cJNK50172920.mol2, BDB-cJNK50172920.pdbqt 337,3 81,84 -6,336 445,953 4,4437 6 4 0 3,7091 0,404324390414907
50211423 BDB-cJNK50211423.mol2, BDB-cJNK50211423.pdbqt 285,37 75,08 -4,82 364,452 3,7478 7 2 0 5,6097 0,629023401953348
15909 BDB-cJNK15909.mol2, BDB-cJNK15909.pdbqt 285,52 119,49 -3,901 356,381 1,2756 8 2 0 -4,4111 0,404421889385874
100478 BDB-cJNK100478.mol2, BDB-cJNK100478.pdbqt 392,21 78,95 -6,545 525,991 3,8629 7 1 1 4,3434 0,365056418333135
100477 BDB-cJNK100477.mol2, BDB-cJNK100477.pdbqt 338,15 67,23 -6,228 454,916 3,7761 6 1 0 6,7017 0,443304465019588
50059660 BDB-cJNK50059660.mol2, BDB-cJNK50059660.pdbqt 388,9 86,64 -6,31 512,54 4,714 8 2 1 2,7121 0,121455282326915
100606 BDB-cJNK100606.mol2, BDB-cJNK100606.pdbqt 341,84 84,94 -5,948 460,46 3,8528 7 1 0 0,29167 0,357469221283999
15962 BDB-cJNK15962.mol2, BDB-cJNK15962.pdbqt 293,37 139,72 -4,044 372,38 0,935 9 3 0 -3,6145 0,399196437347526
50211441 BDB-cJNK50211441.mol2, BDB-cJNK50211441.pdbqt 285,74 85,94 -4,194 364,452 2,5956 7 3 0 5,6721 0,742736691840396
50059662 BDB-cJNK50059662.mol2, BDB-cJNK50059662.pdbqt 284,55 58,97 -4,109 365,479 2,1764 6 1 0 4,0326 0,755021593080994
50178843 BDB-cJNK50178843.mol2, BDB-cJNK50178843.pdbqt 331,67 87,22 -5,617 433,486 3,7009 7 2 0 3,6466 0,502831360569667
102561 BDB-cJNK102561.mol2, BDB-cJNK102561.pdbqt 418,3 147,14 -5,583 569,685 3,0417 12 2 2 8,1736 0,414821496758691
29298 BDB-cJNK29298.mol2, BDB-cJNK29298.pdbqt 247,32 156,95 -6,22 389,338 2,6974 8 1 0 -8,8234 0,262374211918238
15919 BDB-cJNK15919.mol2, BDB-cJNK15919.pdbqt 286,55 119,76 -4,623 397,882 1,5473 7 2 0 2,8689 0,324796714851253
50363455 BDB-cJNK50363455.mol2, BDB-cJNK50363455.pdbqt 309,3 87,89 -5,546 410,495 4,3343 7 3 0 -1,3495 0,298572040200285
15992 BDB-cJNK15992.mol2, BDB-cJNK15992.pdbqt 243,67 107,37 -4,281 322,323 2,6767 7 4 0 -0,86954 0,489996921010567
100479 BDB-cJNK100479.mol2, BDB-cJNK100479.pdbqt 385,37 69,72 -7,263 530,41 4,5389 6 1 1 4,3475 0,309096410511795
These data are only available for scientific research purposes.