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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50442686 50442686.mol2, BDB-kin50442686.pdbqt 264,19 45,46 -5,138 331,422 2,1141 5 1 0 6,6527 0,671310090962921
50442687 50442687.mol2, BDB-kin50442687.pdbqt 251,65 68,24 -5,854 317,395 1,9505 5 2 0 1,601 0,552129228037477
50442688 50442688.mol2, BDB-kin50442688.pdbqt 300,59 54,25 -7,007 379,466 3,5563 5 2 0 4,9244 0,455989958224489
50442689 50442689.mol2, BDB-kin50442689.pdbqt 239,83 54,25 -5,724 315,379 1,9785 5 2 0 4,9265 0,613765342996826
50442690 50442690.mol2, BDB-kin50442690.pdbqt 237,89 68,24 -5,584 303,368 1,4961 5 2 0 1,6893 0,590323896650649
50442691 50442691.mol2, BDB-kin50442691.pdbqt 253,69 45,46 -5,622 329,406 2,2928 5 1 0 6,0793 0,615494264240333
50442692 50442692.mol2, BDB-kin50442692.pdbqt 276,91 68,24 -6,966 357,46 2,7201 5 2 0 -4,6035 0,249640271567229
50442699 50442699.mol2, BDB-kin50442699.pdbqt 258,99 96,48 -6,006 335,434 2,2235 5 2 0 2,7701 0,560777045310832
50442700 50442700.mol2, BDB-kin50442700.pdbqt 251,5 94,27 -4,545 320,355 0,5532 7 2 0 2,595 0,733280664816075
50442757 50442757.mol2, BDB-kin50442757.pdbqt 430,77 129,76 -5,708 578,664 3,1237 11 3 2 2,4065 0,228571692548128
50442758 50442758.mol2, BDB-kin50442758.pdbqt 358,22 120,09 -5,15 466,536 2,9308 9 4 0 10,778 0,331140437006989
50442759 50442759.mol2, BDB-kin50442759.pdbqt 344,56 111,3 -4,448 452,509 2,4146 9 3 0 10,353 0,387715977995937
50442760 50442760.mol2, BDB-kin50442760.pdbqt 333,41 153,88 -4,872 454,438 0,6701 11 3 1 5,1171 0,619649845113353
50442761 50442761.mol2, BDB-kin50442761.pdbqt 276,9 57,01 -3,711 400,275 3,0745 5 0 0 -3,7871 0,301873310847589
50442762 50442762.mol2, BDB-kin50442762.pdbqt 264,62 57,01 -3,191 339,369 2,4501 5 0 0 -3,3371 0,260354214427754
50442763 50442763.mol2, BDB-kin50442763.pdbqt 243,24 50,94 -3,301 358,238 2,5899 4 1 0 -3,5077 0,420088306724276
50442764 50442764.mol2, BDB-kin50442764.pdbqt 243,24 50,94 -3,301 358,238 2,5899 4 1 0 -3,5077 0,201642387227652
50442765 50442765.mol2, BDB-kin50442765.pdbqt 230,96 50,94 -2,781 297,332 1,9655 4 1 0 -3,0577 0,465825886469213
50442766 50442766.mol2, BDB-kin50442766.pdbqt 282,91 49,17 -3,879 402,291 2,9447 5 0 0 -3,6935 0,373614692167346
50442767 50442767.mol2, BDB-kin50442767.pdbqt 282,91 49,17 -3,879 402,291 2,9447 5 0 0 -3,6935 0,373614692167346
These data are only available for scientific research purposes.