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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50332074 BDB-cJNK50332074.mol2, BDB-cJNK50332074.pdbqt 277,53 88,05 -5,537 362,456 3,8381 5 1 0 5,8253 0,332114772751603
17697 BDB-cJNK17697.mol2, BDB-cJNK17697.pdbqt 379,54 101,75 -6,782 507,976 4,404 9 2 1 5,3119 0,346338378397992
50345601 BDB-cJNK50345601.mol2, BDB-cJNK50345601.pdbqt 214,1 30,71 -3,94 271,322 2,7721 3 0 0 3,9 0,795948570370973
50332076 BDB-cJNK50332076.mol2, BDB-cJNK50332076.pdbqt 240,67 97,28 -3,825 314,368 1,9158 6 1 0 4,7167 0,817113573671543
15979 BDB-cJNK15979.mol2, BDB-cJNK15979.pdbqt 202,12 84,34 -3,317 259,264 2,1691 6 2 0 -2,2475 0,477874696891791
50342374 BDB-cJNK50342374.mol2, BDB-cJNK50342374.pdbqt 277,58 100,43 -7,688 384,458 4,8965 4 2 0 3,3361 0,129209384515448
50345602 BDB-cJNK50345602.mol2, BDB-cJNK50345602.pdbqt 214,1 30,71 -3,94 271,322 2,7721 3 0 0 3,9 0,382055313778067
50345603 BDB-cJNK50345603.mol2, BDB-cJNK50345603.pdbqt 211,62 56,49 -4,871 273,298 2,3947 5 0 0 0,38385 0,571655777183737
50345604 BDB-cJNK50345604.mol2, BDB-cJNK50345604.pdbqt 214,1 30,71 -6,676 271,322 3,1187 3 0 0 0,71718 0,210354199966119
50345605 BDB-cJNK50345605.mol2, BDB-cJNK50345605.pdbqt 212,86 43,6 -3,929 272,31 2,4177 4 0 0 -2,9223 0,205845527696111
50345608 BDB-cJNK50345608.mol2, BDB-cJNK50345608.pdbqt 223,66 38,67 -5,287 283,333 3,6993 3 0 0 -1,7698 0,352756059572726
50345610 BDB-cJNK50345610.mol2, BDB-cJNK50345610.pdbqt 229,08 85,5 -4,25 305,364 2,4472 5 1 0 1,8993 0,26035735701953
50345611 BDB-cJNK50345611.mol2, BDB-cJNK50345611.pdbqt 242,58 72,61 -5,518 318,403 3,7235 4 1 0 1,8358 0,116799664209831
50345612 BDB-cJNK50345612.mol2, BDB-cJNK50345612.pdbqt 241,34 85,5 -4,618 319,391 2,8451 5 1 0 1,8358 0,144211954562701
50345613 BDB-cJNK50345613.mol2, BDB-cJNK50345613.pdbqt 236,67 72,61 -5,464 322,366 3,4264 4 1 0 0,55932 0,106018719387917
50345614 BDB-cJNK50345614.mol2, BDB-cJNK50345614.pdbqt 248,95 72,61 -5,747 383,272 4,1482 4 1 0 0,10932 8,35286326854245E-02
50345615 BDB-cJNK50345615.mol2, BDB-cJNK50345615.pdbqt 229,08 85,5 -4,25 305,364 2,4472 5 1 0 1,8993 0,26035735701953
50345617 BDB-cJNK50345617.mol2, BDB-cJNK50345617.pdbqt 309,58 84,64 -7,309 401,537 4,8797 5 2 0 -2,8932 4,18439972769553E-02
50345618 BDB-cJNK50345618.mol2, BDB-cJNK50345618.pdbqt 282,06 84,64 -6,551 373,483 4,0484 5 2 0 4,2928 9,87348347659028E-02
50345619 BDB-cJNK50345619.mol2, BDB-cJNK50345619.pdbqt 242,32 43,6 -6,873 340,307 3,4662 4 0 0 -11,86 0,115972145515765
These data are only available for scientific research purposes.