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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3854 3854.mol2, BDB-kin3854.pdbqt 164,1 43,84 -5,192 209,251 2,0443 3 1 0 0,83196 0,127840551122805
3855 3855.mol2, BDB-kin3855.pdbqt 185,59 34,89 -5,8 236,273 2,5928 3 0 0 0,49276 0,498570339817588
3856 3856.mol2, BDB-kin3856.pdbqt 175,12 34,89 -5,44 222,246 2,6549 3 0 0 -1,3908 0,235290708768303
3857 3857.mol2, BDB-kin3857.pdbqt 154,34 30,71 -4,321 195,224 1,7207 3 0 0 0,98389 0,696677099163078
3858 3858.mol2, BDB-kin3858.pdbqt 167,84 17,82 -5,46 208,263 3,0655 2 0 0 0,77893 0,539512802604631
3859 3859.mol2, BDB-kin3859.pdbqt 177,84 27,05 -5,134 224,262 2,6516 3 0 0 0,66291 0,571790285527076
3860 3860.mol2, BDB-kin3860.pdbqt 161,93 38,05 -4,82 210,235 2,3759 3 1 0 0,74583 0,616886895348211
3861 3861.mol2, BDB-kin3861.pdbqt 171 17,82 -5,852 228,681 3,3276 2 0 0 0,96631 0,506158662176607
3862 3862.mol2, BDB-kin3862.pdbqt 179,68 55,12 -5,129 238,245 2,2067 4 1 0 0,57022 0,571912875874497
3863 3863.mol2, BDB-kin3863.pdbqt 195,59 44,12 -5,257 252,272 2,6346 4 0 0 -1,6852 0,387688046077964
3864 3864.mol2, BDB-kin3864.pdbqt 181,85 60,91 -5,205 237,261 1,8089 4 1 0 1,3009 0,621170490049633
3865 3865.mol2, BDB-kin3865.pdbqt 179,25 63,64 -5,576 239,233 1,8 5 0 0 -4,5952 0,329582999310662
3866 3866.mol2, BDB-kin3866.pdbqt 164,1 43,84 -5,192 209,251 2,0443 3 1 0 0,83196 0,127840551122805
3867 3867.mol2, BDB-kin3867.pdbqt 167,84 17,82 -5,46 208,263 3,0655 2 0 0 0,77893 0,323707681562779
3868 3868.mol2, BDB-kin3868.pdbqt 177,84 27,05 -5,134 224,262 2,6516 3 0 0 0,66291 0,571790285527076
3869 3869.mol2, BDB-kin3869.pdbqt 161,93 38,05 -4,82 210,235 2,3759 3 1 0 0,74583 0,616886895348211
3870 3870.mol2, BDB-kin3870.pdbqt 171 17,82 -5,852 228,681 3,3276 2 0 0 0,96631 0,506158662176607
3872 3872.mol2, BDB-kin3872.pdbqt 195,59 44,12 -5,257 252,272 2,6346 4 0 0 -1,6852 0,387688046077964
3873 3873.mol2, BDB-kin3873.pdbqt 181,85 60,91 -5,205 237,261 1,8089 4 1 0 1,3009 0,621170490049633
3874 3874.mol2, BDB-kin3874.pdbqt 179,25 63,64 -5,576 239,233 1,8 5 0 0 -4,5952 0,329582999310662
These data are only available for scientific research purposes.