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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3726 3726.mol2, BDB-kin3726.pdbqt 196,14 76,72 -4,366 251,292 2,3122 5 2 0 -1,0636 0,490778429183272
3727 3727.mol2, BDB-kin3727.pdbqt 211,34 62,73 -4,35 265,319 2,6365 5 2 0 -0,14622 0,563816088049909
3728 3728.mol2, BDB-kin3728.pdbqt 222,44 53,94 -4,326 279,346 2,8859 5 1 0 0,47917 0,61501345908717
3729 3729.mol2, BDB-kin3729.pdbqt 288,44 75,2 -3,84 364,452 2,3053 7 2 0 2,4865 0,75268045654001
3730 3730.mol2, BDB-kin3730.pdbqt 302,2 75,2 -4,11 378,478 2,7597 7 2 0 2,3522 0,704595831229994
3731 3731.mol2, BDB-kin3731.pdbqt 274,69 91,41 -4,624 345,409 2,6989 7 3 0 1,7737 0,657367804964085
3732 3732.mol2, BDB-kin3732.pdbqt 307,07 75,2 -3,958 443,348 2,92 7 2 0 0,69654 0,569609840727651
3733 3733.mol2, BDB-kin3733.pdbqt 199,59 70,07 -3,437 244,297 1,8001 5 3 0 -0,21136 0,633659894095666
3735 3735.mol2, BDB-kin3735.pdbqt 191,17 66,05 -4,683 306,187 3,6649 3 1 0 -1,9384 0,380311667670006
3736 3736.mol2, BDB-kin3736.pdbqt 191,17 66,05 -5,515 306,187 3,7388 3 1 0 -1,9384 0,328726562202414
3743 3743.mol2, BDB-kin3743.pdbqt 200,77 53,6 -4,636 260,299 3,457 4 2 0 -0,82797 0,460123931082043
3744 3744.mol2, BDB-kin3744.pdbqt 219,4 53,6 -5,47 339,195 4,1822 4 2 0 -2,618 0,293236007273658
3745 3745.mol2, BDB-kin3745.pdbqt 231,29 42,74 -5,133 353,222 4,315 4 1 0 -0,6975 0,37688966251955
3746 3746.mol2, BDB-kin3746.pdbqt 214,53 53,6 -4,441 274,326 2,9917 4 2 0 -0,093305 0,550549330161137
3747 3747.mol2, BDB-kin3747.pdbqt 225,53 53,6 -4,512 288,353 3,2784 4 2 0 1,2436 0,640357633954117
3748 3748.mol2, BDB-kin3748.pdbqt 225,53 53,6 -4,512 288,353 3,2784 4 2 0 1,2436 0,640357633954117
3749 3749.mol2, BDB-kin3749.pdbqt 208,81 53,6 -4,692 266,347 3,1293 4 2 0 -5,3139 0,359047227955546
3750 3750.mol2, BDB-kin3750.pdbqt 203,35 56,84 -2,541 255,324 1,2734 5 2 0 3,27 0,908454298602041
3751 3751.mol2, BDB-kin3751.pdbqt 203,35 56,84 -3,491 255,324 1,4338 5 2 0 3,27 0,858348539718284
3752 3752.mol2, BDB-kin3752.pdbqt 200,77 53,6 -5,586 260,299 3,6174 4 2 0 -0,82797 0,387579552725867
These data are only available for scientific research purposes.