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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3268 3268.mol2, BDB-kin3268.pdbqt 193,77 35,01 -5,769 301,142 3,8855 3 0 0 -3,736 0,282803155260307
3269 3269.mol2, BDB-kin3269.pdbqt 196,47 24,92 -4,734 299,17 4,2312 2 1 0 -2,615 0,202490041569308
3270 3270.mol2, BDB-kin3270.pdbqt 196,47 24,92 -5,364 299,17 4,4601 2 1 0 -2,615 0,294550017447128
3271 3271.mol2, BDB-kin3271.pdbqt 195,23 37,81 -4,283 300,158 3,4023 3 1 0 -2,615 0,391877373351272
3272 3272.mol2, BDB-kin3272.pdbqt 195,23 37,81 -4,913 300,158 3,6312 3 1 0 -2,615 0,209970401595738
3273 3273.mol2, BDB-kin3273.pdbqt 195,23 37,81 -4,359 300,158 3,7042 3 1 0 -2,615 0,378038603829479
3274 3274.mol2, BDB-kin3274.pdbqt 193,99 50,7 -4,797 301,146 3,3993 4 1 0 -2,615 0,363340924406912
3275 3275.mol2, BDB-kin3275.pdbqt 214,03 83,63 -4,481 280,286 1,9082 6 1 0 -5,4965 0,386169848199922
3276 3276.mol2, BDB-kin3276.pdbqt 198,88 63,83 -4,097 250,304 2,1525 4 2 0 -0,17566 0,354958683177047
3277 3277.mol2, BDB-kin3277.pdbqt 212,62 47,04 -4,039 265,315 2,7598 4 1 0 -0,1964 0,578292502469112
3278 3278.mol2, BDB-kin3278.pdbqt 214,03 83,63 -4,481 280,286 1,9082 6 1 0 -5,4965 0,386169848199922
3279 3279.mol2, BDB-kin3279.pdbqt 198,88 63,83 -4,097 250,304 2,1525 4 2 0 -0,17566 0,283966946541637
3280 3280.mol2, BDB-kin3280.pdbqt 212,62 47,04 -4,039 265,315 2,7598 4 1 0 -0,1964 0,578292502469112
3281 3281.mol2, BDB-kin3281.pdbqt 214,03 83,63 -4,481 280,286 1,9082 6 1 0 -5,4965 0,386169848199922
3282 3282.mol2, BDB-kin3282.pdbqt 198,88 63,83 -4,097 250,304 2,1525 4 2 0 -0,17566 0,283966946541637
3283 3283.mol2, BDB-kin3283.pdbqt 212,62 47,04 -4,039 265,315 2,7598 4 1 0 -0,1964 0,578292502469112
3284 3284.mol2, BDB-kin3284.pdbqt 214,03 83,63 -4,481 280,286 1,9082 6 1 0 -5,4965 0,386169848199922
3285 3285.mol2, BDB-kin3285.pdbqt 198,88 63,83 -4,097 250,304 2,1525 4 2 0 -0,17566 0,354958683177047
3286 3286.mol2, BDB-kin3286.pdbqt 212,62 47,04 -4,039 265,315 2,7598 4 1 0 -0,1964 0,578292502469112
3287 3287.mol2, BDB-kin3287.pdbqt 218,97 67,27 -3,743 281,314 2,4141 5 2 0 -0,17672 0,603562007645979
These data are only available for scientific research purposes.