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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3248 3248.mol2, BDB-kin3248.pdbqt 459,82 218,02 -5,477 636,608 2,9632 14 6 3 1,1086 0,212328234018167
3249 3249.mol2, BDB-kin3249.pdbqt 424,89 218,02 -4,87 594,527 1,7247 14 6 3 2,7707 0,290492016946586
3250 3250.mol2, BDB-kin3250.pdbqt 385,68 179,69 -5,163 535,504 3,0486 11 5 2 -2,4717 0,164633201557127
3251 3251.mol2, BDB-kin3251.pdbqt 377,93 171,85 -5,36 523,493 3,3142 11 5 2 -2,6274 0,248161656760726
3252 3252.mol2, BDB-kin3252.pdbqt 377,93 171,85 -5,36 523,493 3,3142 11 5 2 -2,6274 0,248161656760726
3253 3253.mol2, BDB-kin3253.pdbqt 399,44 179,69 -5,463 549,53 3,4549 11 5 2 -4,0617 0,111559326286719
3254 3254.mol2, BDB-kin3254.pdbqt 410,44 179,69 -5,841 563,557 3,8142 11 5 2 -2,8576 0,102192713529582
3255 3255.mol2, BDB-kin3255.pdbqt 204,12 37,81 -4,133 249,316 3,2599 3 1 0 0,19917 0,59653199302382
3256 3256.mol2, BDB-kin3256.pdbqt 190,36 37,81 -4,021 235,289 2,8298 3 1 0 -0,093305 0,592752722300943
3257 3257.mol2, BDB-kin3257.pdbqt 205,78 37,81 -4,757 269,734 3,4358 3 1 0 -0,041314 0,515107201273168
3258 3258.mol2, BDB-kin3258.pdbqt 212,62 47,04 -4,039 265,315 2,7598 4 1 0 -0,1964 0,578292502469112
3259 3259.mol2, BDB-kin3259.pdbqt 176,6 37,81 -4,216 221,262 3,2951 3 1 0 -0,825 0,499149623754855
3260 3260.mol2, BDB-kin3260.pdbqt 187,7 29,02 -4,694 235,289 2,3201 3 0 0 0,95744 0,643736475235782
3261 3261.mol2, BDB-kin3261.pdbqt 198,86 47,04 -4,234 251,288 3,2251 4 1 0 -0,93934 0,48780482708649
3262 3262.mol2, BDB-kin3262.pdbqt 188,86 37,81 -4,56 235,289 3,639 3 1 0 -1,0024 0,448793731865081
3263 3263.mol2, BDB-kin3263.pdbqt 192,02 37,81 -4,952 255,707 3,9011 3 1 0 -0,76536 0,424741700660921
3264 3264.mol2, BDB-kin3264.pdbqt 195,23 37,81 -5,05 300,158 4,0203 3 1 0 -2,615 0,328727979079139
3265 3265.mol2, BDB-kin3265.pdbqt 202,88 37,81 -5,232 347,154 3,7322 3 1 0 0,1367 0,45849187384886
3266 3266.mol2, BDB-kin3266.pdbqt 206,06 37,81 -4,994 289,259 4,1434 3 1 0 -8,018 0,30773971648489
3267 3267.mol2, BDB-kin3267.pdbqt 175,36 50,7 -3,421 222,25 2,2942 4 1 0 -0,825 0,567956733462601
These data are only available for scientific research purposes.