• Drug Bank
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 of 344
Records 2641 to 2660 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
DB03018 mol2, pdbqt 106,3 -2,38 121,182 1,6701 1 1 0 -2 0,190253755578279 BBB+ HIA+ Caco2+
DB03019 mol2, pdbqt 165,84 -4,143 246,121 2,9446 3 1 0 -0,098284 0,578752021256199 BBB+ HIA+ Caco2+
DB03020 mol2, pdbqt 423,2 0,397 663,428 -7,9748 21 9 3 -30,088 0,28020247579211 BBB+ HIA- Caco2-
DB03021 mol2, pdbqt 704,57 -8,634 883,045 5,6604 17 2 3 -3,0547 1,17563255781075E-02 BBB- HIA+ Caco2-
DB03022 mol2, pdbqt 286,5 -0,124 440,301 -5,7876 15 8 2 -14,392 0,416366827374074 BBB- HIA- Caco2-
DB03023 mol2, pdbqt 227,25 -5,741 302,788 2,6556 5 2 0 1,5254 0,551256607249682 BBB+ HIA+ Caco2+
DB03024 mol2, pdbqt 134,54 -2,09 170,235 0,9548 3 1 0 -1,5255 0,451061411119778 BBB+ HIA+ Caco2-
DB03025 mol2, pdbqt 124,19 -2,144 128,214 2,4963 1 1 0 -14,808 0,465350178207213 BBB+ HIA+ Caco2+
DB03026 mol2, pdbqt 109,29 1,353 171,045 -4,984 7 4 0 -18,629 0,494823560403122 BBB+ HIA+ Caco2-
DB03028 mol2, pdbqt 120,29 -1,124 162,148 0,4634 4 2 0 0,70656 0,81495510327746 BBB+ HIA+ Caco2-
DB03030 mol2, pdbqt 202,7 -2,927 254,356 3,4277 2 0 0 4,6242 0,837388024943489 BBB+ HIA+ Caco2+
DB03031 mol2, pdbqt 411,98 -6,653 539,782 5,9893 6 2 2 -7,8023 0,045922503558243 BBB+ HIA+ Caco2-
DB03032 mol2, pdbqt 334,97 -2,688 419,541 -1,1139 9 5 0 -29,422 0,411175191112634 BBB+ HIA+ Caco2-
DB03033 mol2, pdbqt 114,85 -1,663 172,204 0,5405 3 0 0 -1,4486 0,575968699092138 BBB+ HIA+ Caco2-
DB03034 mol2, pdbqt 252,39 -2,736 361,372 -0,3426 7 1 0 5,7723 0,873585826157986 BBB- HIA+ Caco2+
DB03035 mol2, pdbqt 191,39 -4,598 285,211 1,4204 7 2 0 -6,2807 0,228694761547439 BBB- HIA+ Caco2-
DB03037 mol2, pdbqt 205,58 -4,116 298,249 1,8252 6 3 0 -1,1184 0,300072864524969 BBB+ HIA+ Caco2-
DB03038 mol2, pdbqt 336,64 -2,918 451,446 0,2144 13 7 2 -11,576 0,386068526656809 BBB+ HIA- Caco2-
DB03039 mol2, pdbqt 225,79 -3,471 326,322 1,4821 5 2 0 0,70306 0,707714925164906 BBB+ HIA+ Caco2-
DB03040 mol2, pdbqt 137,38 0,868 191,138 -3,8594 7 3 0 -8,1014 0,177632364495119 BBB+ HIA- Caco2-
Page 
 of 344
Records 2641 to 2660 of 6870
These data are only available for scientific research purposes.