• Drug Bank
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 of 344
Records 3041 to 3060 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
DB03446 mol2, pdbqt 284,15 -2,534 389,403 0,1815 8 5 0 -2,2934 0,467618899530282 BBB+ HIA- Caco2-
DB03447 mol2, pdbqt 368,27 -1,778 573,411 -5,9951 19 7 3 -34,673 0,317045877951672 BBB+ HIA- Caco2-
DB03448 mol2, pdbqt 198,1 0,59 308,182 -4,9349 10 4 0 -18,951 0,476357325426117 BBB+ HIA- Caco2-
DB03449 mol2, pdbqt 288,65 -4,365 369,919 4,0853 3 3 0 3,1771 0,634137151388973 BBB+ HIA+ Caco2-
DB03450 mol2, pdbqt 286,71 -2,28 398,459 -1,8281 8 3 0 -1,9426 0,482813624484593 BBB- HIA- Caco2-
DB03451 mol2, pdbqt 371,7 -5,285 460,696 6,0131 4 3 1 -5,2573 0,18372527117522 BBB+ HIA+ Caco2+
DB03452 mol2, pdbqt 138,24 -0,774 190,27 0,9691 4 2 0 -46,878 0,291737665810369 BBB+ HIA- Caco2-
DB03453 mol2, pdbqt 365,34 -2,901 446,549 3,1495 7 3 0 -1,8767 0,413023082624876 BBB- HIA+ Caco2-
DB03454 mol2, pdbqt 98,22 -1,368 124,139 1,3121 2 2 0 -2,315 0,31707838520841 BBB- HIA+ Caco2+
DB03455 mol2, pdbqt 198,87 -2,807 266,32 0,1401 5 3 0 -2,8596 0,484474969949404 BBB+ HIA+ Caco2-
DB03456 mol2, pdbqt 291,01 -3,185 358,44 1,6685 7 2 0 -11,635 0,42164134646237 BBB- HIA+ Caco2-
DB03458 mol2, pdbqt 270,02 -1,947 381,392 -5,9112 12 5 1 -6,6877 0,441831015445856 BBB- HIA+ Caco2-
DB03459 mol2, pdbqt 167,51 0,742 255,118 -5,3609 9 5 0 -12,962 0,486644310078154 BBB+ HIA- Caco2-
DB03460 mol2, pdbqt 503,94 -6,298 600,881 9,8516 4 2 2 1,1925 0,166218670745916 BBB+ HIA+ Caco2+
DB03461 mol2, pdbqt 465,97 1,463 744,415 -10,708 24 10 3 -32,701 0,262432210793578 BBB+ HIA- Caco2-
DB03462 mol2, pdbqt 95,39 -1,376 126,115 -0,601 4 2 0 2,2627 0,560120781503881 BBB+ HIA+ Caco2-
DB03464 mol2, pdbqt 221,66 0,832 347,223 -5,9899 12 6 2 -19,596 0,464854858195182 BBB+ HIA+ Caco2-
DB03466 mol2, pdbqt 294,45 -6,785 388,505 5,5164 3 2 1 -4,6973 0,113642070392607 BBB+ HIA+ Caco2+
DB03467 mol2, pdbqt 192,58 -2,64 272,255 2,1557 5 3 0 -0,22006 0,651897367434145 BBB+ HIA+ Caco2+
DB03468 mol2, pdbqt 149,6 -1,74 212,272 -0,1106 4 2 0 1,3311 0,862876825533872 BBB+ HIA+ Caco2-
Page 
 of 344
Records 3041 to 3060 of 6870
These data are only available for scientific research purposes.