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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50444409 50444409.mol2, BDB-kin50444409.pdbqt 322,21 139,63 -3,021 446,526 1,2467 9 2 0 2,9308 0,748960911154216
50444410 50444410.mol2, BDB-kin50444410.pdbqt 308,45 139,63 -2,751 432,5 0,9047 9 2 0 2,976 0,779698474802437
50444411 50444411.mol2, BDB-kin50444411.pdbqt 332,21 148,86 -2,402 462,525 0,4247 10 2 0 0,75967 0,65017706586497
50444412 50444412.mol2, BDB-kin50444412.pdbqt 318,45 148,86 -2,132 448,499 0,0827 10 2 0 1,8535 0,745623768552943
50444413 50444413.mol2, BDB-kin50444413.pdbqt 335,97 139,63 -3,291 460,553 1,5887 9 2 0 0,27694 0,575932233182864
50444440 50444440.mol2, BDB-kin50444440.pdbqt 218,94 118,38 -3,591 294,334 2,0755 7 1 0 2,3011 0,806057431621939
50444441 50444441.mol2, BDB-kin50444441.pdbqt 182,9 106,07 -3,877 238,314 2,6456 5 1 0 -1,5922 0,480390545036895
50444442 50444442.mol2, BDB-kin50444442.pdbqt 184,14 93,18 -3,485 237,326 3,0386 4 1 0 -1,6929 0,483123337339927
50444443 50444443.mol2, BDB-kin50444443.pdbqt 239,35 132,62 -4,563 323,376 1,9056 8 2 0 6,0576 0,743330673514262
50444444 50444444.mol2, BDB-kin50444444.pdbqt 248,46 129,38 -3,964 324,404 2,8753 7 2 0 2,0307 0,732942001350513
50444445 50444445.mol2, BDB-kin50444445.pdbqt 237,46 129,38 -3,586 310,377 2,516 7 2 0 -3,8688 0,421987252109087
50444446 50444446.mol2, BDB-kin50444446.pdbqt 211,88 109,15 -4,226 306,267 2,6885 6 1 0 -8,2051 0,384303150954827
50444447 50444447.mol2, BDB-kin50444447.pdbqt 215,85 109,15 -4,143 280,351 3,0266 6 1 0 -0,75106 0,509996522503784
50444448 50444448.mol2, BDB-kin50444448.pdbqt 253,37 118,38 -3,714 324,404 2,9439 7 1 0 1,3602 0,428600514141458
50444449 50444449.mol2, BDB-kin50444449.pdbqt 237,46 129,38 -3,736 310,377 2,4718 7 2 0 2,4169 0,783595152374623
50444450 50444450.mol2, BDB-kin50444450.pdbqt 237,46 129,38 -3,906 310,377 2,5543 7 2 0 -1,0136 0,243299183897135
50444451 50444451.mol2, BDB-kin50444451.pdbqt 216,29 129,38 -3,249 282,323 1,7319 7 2 0 -1,6834 0,507757368663282
50444452 50444452.mol2, BDB-kin50444452.pdbqt 223,7 129,38 -3,466 296,35 2,0174 7 2 0 3,1439 0,836154672923204
50444453 50444453.mol2, BDB-kin50444453.pdbqt 223,7 129,38 -3,636 296,35 2,0999 7 2 0 -1,0845 0,526014940269141
50444454 50444454.mol2, BDB-kin50444454.pdbqt 202,53 129,38 -2,979 268,296 1,2775 7 2 0 2,0266 0,850634155118543
These data are only available for scientific research purposes.