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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
10849 BDB-kin111626.mol2, BDB-kin111626.pdbqt 140,6 58,44 -1,144 194,193 -0,1784 6 0 0 2,5858 0,203140930994883
111614 BDB-kin115590.mol2, BDB-kin115590.pdbqt 262,89 77,16 -2,937 323,399 1,9946 6 1 0 -3,7924 0,44559133389103
111615 BDB-kin115591.mol2, BDB-kin115591.pdbqt 291,8 80,4 -1,873 352,441 1,3888 7 1 0 1,4245 0,808976618815879
111616 BDB-kin115592.mol2, BDB-kin115592.pdbqt 254,44 104,21 -2,053 327,411 0,4393 6 1 0 -3,5884 0,470178149963855
111617 BDB-kin115593.mol2, BDB-kin115593.pdbqt 241,72 77,16 -2,45 295,345 1,3719 6 1 0 -2,7043 0,485521506978533
111618 BDB-kin115594.mol2, BDB-kin115594.pdbqt 268,54 71,17 -2,716 334,426 2,011 6 1 0 1,341 0,784096908338919
111619 BDB-kin115595.mol2, BDB-kin115595.pdbqt 255,48 77,16 -2,72 309,372 1,7139 6 1 0 -5,0282 0,449538699050899
111620 BDB-kin115596.mol2, BDB-kin115596.pdbqt 285,79 88,24 -2,504 350,425 1,88 7 1 0 0,14297 0,671488312648335
111621 BDB-kin115597.mol2, BDB-kin115597.pdbqt 254,28 71,17 -1,952 308,388 1,4813 6 1 0 3,4522 0,905253136397074
111622 BDB-kin115598.mol2, BDB-kin115598.pdbqt 263,72 77,16 -3,206 323,399 2,0213 6 1 0 -1,0905 0,536679223137984
111623 BDB-kin115599.mol2, BDB-kin115599.pdbqt 260,93 97,03 -2,566 322,371 1,0042 7 2 0 0,6215 0,743237697566343
111624 BDB-kin115600.mol2, BDB-kin115600.pdbqt 299,26 88,16 -3,638 365,479 3,034 6 2 0 -1,1097 0,482282571359278
111625 BDB-kin115601.mol2, BDB-kin115601.pdbqt 330,04 88,16 -4,534 405,544 3,7415 6 2 0 -0,685 0,420912761051333
111626 BDB-kin115602.mol2, BDB-kin115602.pdbqt 299,26 88,16 -3,749 365,479 3,0728 6 2 0 -0,98701 0,485203173569709
111627 BDB-kin115603.mol2, BDB-kin115603.pdbqt 313,02 88,16 -3,908 379,506 3,4884 6 2 0 -1,1462 0,446557503370644
111628 BDB-kin115604.mol2, BDB-kin115604.pdbqt 307,21 67,93 -4,094 361,491 4,4838 5 1 0 -0,50381 0,440942799060466
111629 BDB-kin115605.mol2, BDB-kin115605.pdbqt 322 88,16 -4,229 399,497 3,6835 6 2 0 2,4859 0,640551640097373
111630 BDB-kin115606.mol2, BDB-kin115606.pdbqt 335,76 88,16 -4,343 413,523 3,8393 6 2 0 2,4859 0,610457950396773
111631 BDB-kin115607.mol2, BDB-kin115607.pdbqt 291,85 88,16 -3,421 351,453 2,7485 6 2 0 -1,9799 0,453176866030844
111632 BDB-kin115608.mol2, BDB-kin115608.pdbqt 291,7 88,16 -3,948 391,396 2,8817 6 2 0 -8,5141 0,3680055086465
These data are only available for scientific research purposes.