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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3457 3457.mol2, BDB-kin3457.pdbqt 381,26 86,28 -7,554 504,464 4,9169 8 2 1 5,9332 0,302589289084614
3458 3458.mol2, BDB-kin3458.pdbqt 311,99 79,96 -6,683 419,359 4,1954 6 2 0 1,8174 0,39220077075408
3459 3459.mol2, BDB-kin3459.pdbqt 391,33 95,07 -7,915 518,491 5,4516 8 3 2 2,7061 0,255482373234817
3460 3460.mol2, BDB-kin3460.pdbqt 317,84 89,19 -6,413 433,342 3,3803 7 2 0 2,4194 0,444520760742825
3461 3461.mol2, BDB-kin3461.pdbqt 397,18 104,3 -7,645 532,474 4,6365 9 3 1 2,9988 0,290417839259302
3462 3462.mol2, BDB-kin3462.pdbqt 332,6 79,96 -7,68 445,396 4,869 6 2 0 2,0208 0,254632245524086
3463 3463.mol2, BDB-kin3463.pdbqt 411,94 95,07 -8,912 544,529 6,1252 8 3 2 2,289 0,16585260085072
3464 3464.mol2, BDB-kin3464.pdbqt 330,4 83,2 -5,915 446,385 3,4897 7 2 0 10,181 0,484090815095735
3465 3465.mol2, BDB-kin3465.pdbqt 409,74 98,31 -7,147 545,517 4,7459 9 3 1 9,6896 0,294988042065375
3466 3466.mol2, BDB-kin3466.pdbqt 344,16 83,2 -6,185 460,411 3,9441 7 2 0 8,7169 0,434376787498113
3467 3467.mol2, BDB-kin3467.pdbqt 423,5 98,31 -7,417 559,544 5,2003 9 3 2 8,2996 0,260511415471568
3468 3468.mol2, BDB-kin3468.pdbqt 359,61 112,3 -6,444 489,409 3,2482 9 3 0 10,388 0,422331809215091
3469 3469.mol2, BDB-kin3469.pdbqt 388,57 98,31 -6,66 517,463 4,006 9 3 1 10,421 0,363075411925975
3470 3470.mol2, BDB-kin3470.pdbqt 400,85 98,31 -6,869 529,474 4,2749 9 3 1 7,6036 0,334929713409254
3471 3471.mol2, BDB-kin3471.pdbqt 399,57 98,31 -7,038 531,49 4,3653 9 3 1 10,923 0,324255427129152
3472 3472.mol2, BDB-kin3472.pdbqt 471,13 98,31 -8,28 601,624 6,7324 9 3 2 -9,1201 9,14975517518921E-02
3473 3473.mol2, BDB-kin3473.pdbqt 436,07 98,31 -7,683 579,534 5,0178 9 3 2 10,249 0,254196155748565
3474 3474.mol2, BDB-kin3474.pdbqt 430,35 98,31 -7,934 571,555 5,1554 9 3 2 5,861 0,248629952884871
3475 3475.mol2, BDB-kin3475.pdbqt 452,52 98,31 -8,695 623,631 5,6749 9 3 2 10,712 0,202884103980088
3476 3476.mol2, BDB-kin3476.pdbqt 476,47 136,64 -7,529 632,595 4,4391 12 4 2 -39,646 0,128433971131742
These data are only available for scientific research purposes.