• Drug Bank
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 of 344
Records 3401 to 3420 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
DB03847 mol2, pdbqt 133,08 -0,056 191,138 -4,4166 7 4 0 -16,687 0,492237781703948 BBB+ HIA+ Caco2-
DB03848 mol2, pdbqt 102,33 -1,451 142,178 -0,3822 2 1 0 -2,1305 0,5404424751399 BBB+ HIA+ Caco2+
DB03850 mol2, pdbqt 680,91 -7,436 857,007 4,1061 17 3 2 -1,623 1,76656588744056E-02 BBB- HIA- Caco2-
DB03851 mol2, pdbqt 197,04 -3,325 253,3 3,0372 3 1 0 0,5185 0,685785580402291 BBB+ HIA+ Caco2-
DB03853 mol2, pdbqt 681,72 -3,335 1116,02 -4,1929 31 12 3 -5,2714 2,99920372112666E-02 BBB- HIA+ Caco2-
DB03854 mol2, pdbqt 99,34 -0,932 102,18 -0,3086 2 2 0 -5,5908 0,296599780492018 BBB+ HIA+ Caco2+
DB03855 mol2, pdbqt 148,09 1,779 233,112 -6,4769 9 7 1 -21,398 0,293971503001824 BBB+ HIA- Caco2-
DB03856 mol2, pdbqt 131,53 -1,095 182,169 -4,9852 4 3 0 -8,9035 0,293865991015511 BBB+ HIA+ Caco2-
DB03857 mol2, pdbqt 137,03 -1,712 212,289 -0,6494 4 3 0 -5,5955 0,484406662336836 BBB+ HIA- Caco2-
DB03858 mol2, pdbqt 133,64 -0,935 177,223 -2,9435 4 2 0 -6,0444 0,491806720943445 BBB+ HIA+ Caco2-
DB03859 mol2, pdbqt 127,52 -0,73 196,222 -1,49 5 4 0 -6,8195 0,490397405545049 BBB+ HIA- Caco2-
DB03860 mol2, pdbqt 430,88 -6,825 525,815 8,9489 4 2 2 -3,6704 0,105775965689608 BBB+ HIA+ Caco2+
DB03861 mol2, pdbqt 149,61 -0,132 204,225 -1,7845 6 5 0 1,3641 0,881786601186628 BBB- HIA- Caco2-
DB03862 mol2, pdbqt 105,53 -0,215 149,145 -2,2315 5 4 0 1,1314 0,867703236517548 BBB- HIA+ Caco2-
DB03863 mol2, pdbqt 126,07 -0,384 178,183 -1,2662 5 3 0 -0,225 0,710383947775863 BBB- HIA- Caco2+
DB03864 mol2, pdbqt 82,08 -1,005 108,161 -0,5841 2 2 0 -5,8914 0,49368639843408 BBB+ HIA+ Caco2-
DB03865 mol2, pdbqt 267,22 -5,714 362,839 4,057 4 4 0 0,74396 0,440502144113736 BBB+ HIA+ Caco2-
DB03866 mol2, pdbqt 298,55 -4,539 368,468 4,9062 6 2 0 -16,56 6,47285346958597E-02 BBB+ HIA+ Caco2-
DB03867 mol2, pdbqt 162,16 -1,705 226,187 -2,8165 7 3 0 -16,026 0,482112494101034 BBB- HIA+ Caco2-
DB03868 mol2, pdbqt 123,83 -0,189 190,15 -2,191 6 4 0 1,0972 0,860685361891453 BBB+ HIA+ Caco2-
Page 
 of 344
Records 3401 to 3420 of 6870
These data are only available for scientific research purposes.