• Drug Bank
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 of 344
Records 2781 to 2800 of 6870
 
Molecule Name
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TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB03172 mol2, pdbqt 182,41 -2,639 266,256 -1,2998 8 4 0 -1,2386 0,341226581658989 BBB+ HIA+ Caco2-
DB03173 mol2, pdbqt 257,26 -4,214 335,406 1,3575 5 3 0 -0,9133 0,301769707533152 BBB+ HIA+ Caco2-
DB03174 mol2, pdbqt 83,27 0,463 124,032 -4,0174 4 2 0 -16,816 0,496204584709703 BBB+ HIA- Caco2-
DB03175 mol2, pdbqt 59,63 -0,747 60,0955 0,5049 1 1 0 -2,5387 6,84997337696694E-02 BBB+ HIA+ Caco2+
DB03176 mol2, pdbqt 255,09 -5,938 355,216 4,5917 4 2 0 -1,4982 0,280520765007869 BBB+ HIA+ Caco2+
DB03177 mol2, pdbqt 108,45 -2,171 132,166 1,6031 2 1 0 -0,078187 0,703698964736402 BBB+ HIA+ Caco2-
DB03178 mol2, pdbqt 227 -2,333 361,274 -3,3708 11 5 1 -9,0723 0,102590587148721 BBB+ HIA- Caco2-
DB03179 mol2, pdbqt 641,92 -0,424 971,718 -9,0622 27 10 3 -29,854 0,089851923211911 BBB- HIA- Caco2-
DB03180 mol2, pdbqt 114,82 -2,456 136,197 0,9928 2 2 0 -2 0,254906702406554 BBB+ HIA+ Caco2+
DB03181 mol2, pdbqt 279,43 -5,58 367,404 3,8725 7 2 0 4,4107 0,542625629520488 BBB+ HIA+ Caco2-
DB03182 mol2, pdbqt 529,35 0,448 811,498 -10,059 25 10 3 -37,126 0,255263914511586 BBB- HIA- Caco2-
DB03183 mol2, pdbqt 207,79 -2,604 259,308 1,2662 5 1 0 -0,019763 0,158814784019138 BBB+ HIA+ Caco2+
DB03184 mol2, pdbqt 107,6 -0,758 144,173 -4,8183 4 3 0 3,1391 0,965567901256801 BBB+ HIA+ Caco2-
DB03185 mol2, pdbqt 171,82 -1,103 242,23 -1,9025 7 4 0 0,32979 0,765615328240909 BBB+ HIA+ Caco2-
DB03186 mol2, pdbqt 483,54 2,059 797,348 -14,088 27 9 3 -30,312 0,2567480485773 BBB+ HIA- Caco2-
DB03187 mol2, pdbqt 241,28 -3,546 313,506 0,2932 4 3 0 -8,8325 0,42897034670017 BBB+ HIA+ Caco2-
DB03189 mol2, pdbqt 183,44 -0,21 200,329 -1,358 4 4 0 0,99367 0,849107305414915 BBB+ HIA+ Caco2-
DB03190 mol2, pdbqt 335,21 -1,348 468,494 -1,3992 12 7 2 -32,504 0,235793815816112 BBB- HIA+ Caco2-
DB03191 mol2, pdbqt 102,79 -0,521 131,13 -3,3272 4 2 0 -13,624 0,106747008721356 BBB- HIA+ Caco2-
DB03192 mol2, pdbqt 649,07 -0,872 937,789 -7,2351 25 10 3 -47,961 0,249307181103829 BBB- HIA+ Caco2-
Page 
 of 344
Records 2781 to 2800 of 6870
These data are only available for scientific research purposes.