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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3216 3216.mol2, BDB-kin3216.pdbqt 363,42 170,46 -5,331 505,478 2,9664 10 5 1 -0,34667 0,350362240610195
3217 3217.mol2, BDB-kin3217.pdbqt 357,07 150,23 -5,627 489,479 3,3121 9 4 0 -0,34667 0,336520022689382
3218 3218.mol2, BDB-kin3218.pdbqt 381,59 150,23 -6,315 517,532 3,9999 9 4 1 -0,3556 0,267956644831751
3219 3219.mol2, BDB-kin3219.pdbqt 409,06 163,65 -4,869 550,562 2,7178 11 5 2 2,4143 0,47406828877027
3220 3220.mol2, BDB-kin3220.pdbqt 365,78 173,62 -4,906 507,494 2,5383 10 6 2 -0,36551 0,381047833671034
3221 3221.mol2, BDB-kin3221.pdbqt 372,58 194,52 -3,718 521,481 -0,387 12 7 3 2,5936 0,616319482149655
3222 3222.mol2, BDB-kin3222.pdbqt 385,18 185,73 -3,456 535,508 -0,4927 12 6 3 -1,178 0,392156000248117
3223 3223.mol2, BDB-kin3223.pdbqt 343,37 165,42 -4,292 478,456 0,1247 10 6 1 2,5936 0,627970178808325
3224 3224.mol2, BDB-kin3224.pdbqt 337,02 145,19 -4,588 462,457 0,4704 9 5 0 2,5936 0,619186768403695
3225 3225.mol2, BDB-kin3225.pdbqt 391 185,65 -4,161 536,535 0,6197 11 7 3 2,1534 0,556839628253707
3226 3226.mol2, BDB-kin3226.pdbqt 379,89 174,65 -4,075 534,519 2,5645 11 6 3 2,1771 0,327764850765408
3227 3227.mol2, BDB-kin3227.pdbqt 395,72 182,49 -5,912 556,526 0,7899 11 6 3 2,7486 0,149019585857126
3153 3153.mol2, BDB-kin3153.pdbqt 369,77 190,69 -5,035 521,477 2,6207 11 6 3 -0,34667 0,362486560826482
3154 3154.mol2, BDB-kin3154.pdbqt 381,27 190,69 -5,441 547,515 2,8661 11 6 3 1,061 0,390811942274058
3156 3156.mol2, BDB-kin3156.pdbqt 403,83 193,93 -4,76 576,556 1,3378 12 6 3 2,7874 0,480520872454695
3158 3158.mol2, BDB-kin3158.pdbqt 406,59 193,93 -4,464 576,556 1,4559 12 6 3 6,6849 0,516333403656218
3159 3159.mol2, BDB-kin3159.pdbqt 406,59 193,93 -4,464 576,556 1,4559 12 6 3 6,6849 0,516333403656218
3160 3160.mol2, BDB-kin3160.pdbqt 406,53 190,69 -6,117 587,579 3,4535 11 6 3 -0,819 0,233718844136789
3161 3161.mol2, BDB-kin3161.pdbqt 406,53 190,69 -6,117 587,579 3,4535 11 6 3 -0,819 0,233718844136789
3162 3162.mol2, BDB-kin3162.pdbqt 412,61 190,69 -5,955 589,595 3,7984 11 6 3 -1,7545 0,122009365627075
These data are only available for scientific research purposes.