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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3753 3753.mol2, BDB-kin3753.pdbqt 219,4 53,6 -6,42 339,195 4,3426 4 2 0 -2,618 0,247765097610851
3754 3754.mol2, BDB-kin3754.pdbqt 231,29 42,74 -6,083 353,222 4,4754 4 1 0 -0,6975 0,314855436487894
3755 3755.mol2, BDB-kin3755.pdbqt 308,89 45,98 -5,811 438,372 4,8375 5 1 0 4,599 0,252098845230411
3756 3756.mol2, BDB-kin3756.pdbqt 231,66 53,6 -6,048 353,222 4,576 4 2 0 -2,7556 0,248093405790162
3757 3757.mol2, BDB-kin3757.pdbqt 227,92 79,62 -6,767 354,21 4,0348 5 3 0 -2,6943 0,145893726726785
3758 3758.mol2, BDB-kin3758.pdbqt 241,66 62,83 -6,438 369,221 4,2726 5 2 0 -2,6642 0,242784341597653
3759 3759.mol2, BDB-kin3759.pdbqt 331,15 55,21 -5,829 468,397 4,7675 6 1 0 4,2465 0,241073244423334
3760 3760.mol2, BDB-kin3760.pdbqt 220,9 66,05 -4,993 291,377 3,529 3 1 0 0,35124 0,519723247869565
3761 3761.mol2, BDB-kin3761.pdbqt 231,9 66,05 -5,064 305,404 3,8157 3 1 0 1,5875 0,57303543871737
3762 3762.mol2, BDB-kin3762.pdbqt 225,77 66,05 -6,022 356,246 4,7195 3 1 0 -2,0682 0,25511274696664
3793 3793.mol2, BDB-kin3793.pdbqt 154,34 30,71 -2,736 195,224 1,9134 3 0 0 -3,4784 0,170630882148084
3794 3794.mol2, BDB-kin3794.pdbqt 155,58 17,82 -5,116 194,236 2,7216 2 0 0 0,98389 0,598383913018813
3795 3795.mol2, BDB-kin3795.pdbqt 167,84 17,82 -5,46 208,263 3,0655 2 0 0 0,77893 0,539512802604631
3796 3796.mol2, BDB-kin3796.pdbqt 177,84 27,05 -5,134 224,262 2,6516 3 0 0 0,66291 0,571790285527076
3797 3797.mol2, BDB-kin3797.pdbqt 161,93 38,05 -4,82 210,235 2,3759 3 1 0 0,74583 0,616886895348211
3798 3798.mol2, BDB-kin3798.pdbqt 171 17,82 -5,852 228,681 3,3276 2 0 0 0,96631 0,506158662176607
3799 3799.mol2, BDB-kin3799.pdbqt 179,68 55,12 -5,129 238,245 2,2067 4 1 0 0,57022 0,571912875874497
3800 3800.mol2, BDB-kin3800.pdbqt 209,35 44,12 -5,557 266,299 3,0409 4 0 0 -3,3137 0,257414261694262
3763 3763.mol2, BDB-kin3763.pdbqt 230,81 111,87 -5,648 322,347 3,0727 6 1 0 -5,5923 0,298954211586205
3764 3764.mol2, BDB-kin3764.pdbqt 243,07 111,87 -5,992 336,374 3,4166 6 1 0 -5,6318 0,273670781208482
These data are only available for scientific research purposes.