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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50178846 BDB-cJNK50178846.mol2, BDB-cJNK50178846.pdbqt 325,32 87,22 -5,303 415,496 3,6001 7 2 0 4,9866 0,554617016703914
102559 BDB-cJNK102559.mol2, BDB-cJNK102559.pdbqt 383,88 172,31 -5,893 548,691 2,4488 12 3 2 5,978 0,421723047815888
102581 BDB-cJNK102581.mol2, BDB-cJNK102581.pdbqt 455,63 118,04 -6,432 608,805 4,5039 10 1 1 -0,26309 0,126238574260675
29302 BDB-cJNK29302.mol2, BDB-cJNK29302.pdbqt 307,42 147,89 -7,618 453,333 3,3492 8 0 0 -1,1697 0,248467601000713
100480 BDB-cJNK100480.mol2, BDB-cJNK100480.pdbqt 351,03 74,77 -6,326 474,947 3,6268 7 1 0 3,7886 0,423383880642761
50194870 BDB-cJNK50194870.mol2, BDB-cJNK50194870.pdbqt 297,56 146,35 -5,058 399,474 0,6 8 3 0 -1,7462 0,375119615413123
50089228 BDB-cJNK50089228.mol2, BDB-cJNK50089228.pdbqt 279,88 90,46 -3,866 358,444 1,5688 8 2 0 3,4639 0,785575407211749
50178838 BDB-cJNK50178838.mol2, BDB-cJNK50178838.pdbqt 331,67 87,22 -5,617 433,486 3,7009 7 2 0 3,6466 0,502831360569667
29290 BDB-cJNK29290.mol2, BDB-cJNK29290.pdbqt 262,38 175,41 -5,478 381,392 1,7091 10 1 0 -1,6376 0,356424398902076
16008 BDB-cJNK16008.mol2, BDB-cJNK16008.pdbqt 270,68 100,03 -5,283 357,372 3,3384 7 3 0 -0,86954 0,236085220621673
102583 BDB-cJNK102583.mol2, BDB-cJNK102583.pdbqt 441,87 118,04 -6,162 594,778 4,1619 10 1 1 1,1272 0,17201813941124
29292 BDB-cJNK29292.mol2, BDB-cJNK29292.pdbqt 241,53 202,77 -5,902 366,338 0,9275 11 1 1 -1,657 0,339601202413794
50373212 BDB-cJNK50373212.mol2, BDB-cJNK50373212.pdbqt 302,65 46,61 -5,416 448,315 4,8549 4 0 0 -0,57136 0,180806622301797
102558 BDB-cJNK102558.mol2, BDB-cJNK102558.pdbqt 373,05 146,86 -5,943 512,637 2,8613 11 3 2 7,3635 0,443197292429624
104974 BDB-cJNK104974.mol2, BDB-cJNK104974.pdbqt 238,9 75,34 -4,869 309,372 1,6002 6 2 0 2,4893 0,691680301954967
15953 BDB-cJNK15953.mol2, BDB-cJNK15953.pdbqt 311,81 133,37 -3,764 388,47 0,6986 9 3 0 2,543 0,761130586453626
50194896 BDB-cJNK50194896.mol2, BDB-cJNK50194896.pdbqt 306,6 143,55 -4,712 402,474 1,0903 8 2 0 -1,4207 0,409679770502154
50178839 BDB-cJNK50178839.mol2, BDB-cJNK50178839.pdbqt 326,12 76,14 -6,451 420,487 4,2746 6 2 0 0,25945 0,335328228918449
100481 BDB-cJNK100481.mol2, BDB-cJNK100481.pdbqt 324,01 65,54 -6,259 432,91 3,8542 6 1 0 4,47 0,451413407119509
102608 BDB-cJNK102608.mol2, BDB-cJNK102608.pdbqt 354,05 110,31 -5,352 459,552 3,2934 9 2 0 -0,8109 0,345202720616167
These data are only available for scientific research purposes.