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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
4115 4115.mol2, BDB-kin4115.pdbqt 275,41 145,44 -5,03 413,405 2,5218 8 4 0 1,4399 0,451125999457393
4116 4116.mol2, BDB-kin4116.pdbqt 294,04 145,44 -5,864 492,301 3,247 8 4 0 -0,45406 0,253921067953311
4117 4117.mol2, BDB-kin4117.pdbqt 262,09 102,92 -3,946 363,368 3,6914 6 4 0 0,30102 0,562890773912677
4118 4118.mol2, BDB-kin4118.pdbqt 245,4 128,37 -5,957 371,368 1,8843 7 4 0 -7,7581 0,285200520178604
4119 4119.mol2, BDB-kin4119.pdbqt 245,4 128,37 -5,957 371,368 1,8843 7 4 0 -7,6251 0,285217831065713
4120 4120.mol2, BDB-kin4120.pdbqt 276,24 128,37 -7,429 440,258 3,0963 7 4 0 -0,0135 0,113827356700355
4121 4121.mol2, BDB-kin4121.pdbqt 259,16 128,37 -6,463 385,395 1,8459 7 4 0 -6,4449 0,26198888941098
4122 4122.mol2, BDB-kin4122.pdbqt 269,07 174,19 -6,417 416,365 0,9627 10 4 0 -8,91 0,256503466957783
4168 4168.mol2, BDB-kin4168.pdbqt 222,66 59,22 -4,623 320,178 2,4458 4 1 0 3,6113 0,718490405339138
4169 4169.mol2, BDB-kin4169.pdbqt 237,86 45,23 -4,607 334,205 2,7701 4 1 0 3,8528 0,706617291589939
4170 4170.mol2, BDB-kin4170.pdbqt 248,96 36,44 -4,583 348,232 3,0195 4 0 0 3,9631 0,693834223274558
4171 4171.mol2, BDB-kin4171.pdbqt 315,46 48,47 -4,63 419,355 3,2825 5 1 0 8,5728 0,380345103827332
4172 4172.mol2, BDB-kin4172.pdbqt 329,22 48,47 -4,9 433,381 3,7369 5 1 0 8,0794 0,343889609752147
4173 4173.mol2, BDB-kin4173.pdbqt 342,98 48,47 -5,17 447,408 4,1913 5 1 0 6,9214 0,305525884605791
4174 4174.mol2, BDB-kin4174.pdbqt 356,74 48,47 -5,44 461,435 4,6457 5 1 0 5,0414 0,266560501550493
4175 4175.mol2, BDB-kin4175.pdbqt 341,28 51,71 -3,869 460,407 3,0027 6 1 0 11,293 0,667290510938202
4176 4176.mol2, BDB-kin4176.pdbqt 355,04 51,71 -4,139 474,434 3,4571 6 1 0 9,91 0,611874865556546
4177 4177.mol2, BDB-kin4177.pdbqt 368,8 51,71 -4,409 488,461 3,9115 6 1 0 8,03 0,551041725683164
4178 4178.mol2, BDB-kin4178.pdbqt 328,72 57,7 -4,367 447,365 2,8933 6 1 0 5,3072 0,644479135373435
4179 4179.mol2, BDB-kin4179.pdbqt 342,48 57,7 -4,637 461,391 3,3477 6 1 0 4,1504 0,585248290878211
These data are only available for scientific research purposes.