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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50032821 BDB-cJNK50032821.mol2, BDB-cJNK50032821.pdbqt 365,5 117,9 -3,915 490,954 1,9799 10 4 0 6,2882 0,520807756294773
50194910 BDB-cJNK50194910.mol2, BDB-cJNK50194910.pdbqt 304,34 147,21 -4,422 407,453 0,4792 8 2 0 -1,3048 0,433662937843121
50332070 BDB-cJNK50332070.mol2, BDB-cJNK50332070.pdbqt 253,38 98,91 -5,715 334,402 3,436 5 2 0 4,4613 0,340161927828402
50303636 BDB-cJNK50303636.mol2, BDB-cJNK50303636.pdbqt 228,03 80,9 -4,328 290,325 2,8338 5 2 0 -0,05259 0,564110129689063
50032756 BDB-cJNK50032756.mol2, BDB-cJNK50032756.pdbqt 335,58 113,83 -4,251 447,885 2,3935 9 3 0 4,6748 0,533012329901493
50364372 BDB-cJNK50364372.mol2, BDB-cJNK50364372.pdbqt 355,32 86,12 -5,669 472,538 4,4473 8 2 0 -8,9243 0,216367611553396
100641 BDB-cJNK100641.mol2, BDB-cJNK100641.pdbqt 301,89 61,44 -7,009 403,868 4,6012 5 2 0 3,4646 0,387305779426316
100493 BDB-cJNK100493.mol2, BDB-cJNK100493.pdbqt 289,41 80,12 -5,273 393,833 2,3692 7 1 0 1,0311 0,535384690780413
92523 BDB-cJNK92523.mol2, BDB-cJNK92523.pdbqt 392,58 115,74 -5,681 521,96 3,5133 10 3 1 4,7169 0,346422386548957
50194906 BDB-cJNK50194906.mol2, BDB-cJNK50194906.pdbqt 321,63 182,79 -5,111 442,519 0,7494 8 3 0 0,038965 0,459613133436195
27786 BDB-cJNK27786.mol2, BDB-cJNK27786.pdbqt 378,37 130,42 -6,066 493,541 3,4027 10 4 0 2,5259 0,420796230510819
27805 BDB-cJNK27805.mol2, BDB-cJNK27805.pdbqt 395,82 156,08 -6,137 541,546 2,6404 12 4 2 3,7086 0,323805230371825
100571 BDB-cJNK100571.mol2, BDB-cJNK100571.pdbqt 374,07 121,47 -5,823 532,015 2,8923 9 1 1 6,5266 0,433310365764241
100643 BDB-cJNK100643.mol2, BDB-cJNK100643.pdbqt 324,15 70,67 -7,027 433,894 4,5312 6 2 0 3,4969 0,374978252509288
50134593 BDB-cJNK50134593.mol2, BDB-cJNK50134593.pdbqt 321,4 113,11 -5,145 465,48 1,877 9 1 0 6,2545 0,573383340302883
50358514 BDB-cJNK50358514.mol2, BDB-cJNK50358514.pdbqt 303,33 77,24 -7,694 423,393 5,0661 5 2 1 -7,2729 8,12100151153806E-02
50032812 BDB-cJNK50032812.mol2, BDB-cJNK50032812.pdbqt 327,75 100,94 -4,778 430,442 2,6151 8 3 0 3,2986 0,620873882829862
50089222 BDB-cJNK50089222.mol2, BDB-cJNK50089222.pdbqt 215,01 70,93 -4,65 284,362 2,5802 5 2 0 0,64267 0,607767500779877
100494 BDB-cJNK100494.mol2, BDB-cJNK100494.pdbqt 308,69 69,72 -5,204 419,867 2,5148 6 1 0 4,4651 0,596969880534866
100589 BDB-cJNK100589.mol2, BDB-cJNK100589.pdbqt 350,91 84,94 -6,37 476,915 4,358 7 1 0 1,6922 0,360009486015874
These data are only available for scientific research purposes.