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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3705 3705.mol2, BDB-kin3705.pdbqt 281,55 65,97 -4,533 401,311 3,172 6 2 0 2,5434 0,639240670043528
3706 3706.mol2, BDB-kin3706.pdbqt 295,31 65,97 -4,803 415,338 3,6264 6 2 0 0,73239 0,505745708157281
3707 3707.mol2, BDB-kin3707.pdbqt 314,16 86,2 -4,734 445,364 2,9628 7 3 0 4,08 0,364037317182537
3708 3708.mol2, BDB-kin3708.pdbqt 289,4 86,2 -4,056 417,31 2,1972 7 3 0 2,523 0,69557908111543
3709 3709.mol2, BDB-kin3709.pdbqt 278,89 57,18 -4,239 401,311 2,967 6 1 0 1,1449 0,614905776721928
3710 3710.mol2, BDB-kin3710.pdbqt 294,81 75,2 -4,33 429,321 2,6866 7 2 0 0,7725 0,567887916889066
3711 3711.mol2, BDB-kin3711.pdbqt 308,57 75,2 -4,6 443,348 3,141 7 2 0 0,62986 0,512353491833404
3712 3712.mol2, BDB-kin3712.pdbqt 321,13 69,21 -4,102 456,39 3,2504 7 2 0 8,5531 0,644544713220667
3713 3713.mol2, BDB-kin3713.pdbqt 311,01 106,43 -3,849 447,336 1,6768 8 4 0 -1,2455 0,125884629396874
3714 3714.mol2, BDB-kin3714.pdbqt 324,77 106,43 -4,119 461,363 2,1312 8 4 0 -1,2915 0,117322275215916
3638 3638.mol2, BDB-kin3638.pdbqt 267,98 56,84 -5,089 396,291 3,6826 5 2 0 1,285 0,523343652306138
3639 3639.mol2, BDB-kin3639.pdbqt 295 66,07 -5,156 438,328 3,6516 6 2 0 0,5785 0,450728277500898
3640 3640.mol2, BDB-kin3640.pdbqt 318,06 60,08 -4,512 453,386 3,3824 6 2 0 2,4545 0,583678180216395
3641 3641.mol2, BDB-kin3641.pdbqt 309,49 83,14 -4,992 454,327 3,2405 7 2 0 -1,3356 0,34338434068812
3642 3642.mol2, BDB-kin3642.pdbqt 293,58 94,14 -4,864 440,3 1,6988 7 3 0 -1,3076 0,381895760795975
3646 3646.mol2, BDB-kin3646.pdbqt 239,32 82,96 -4,633 360,214 2,4974 6 3 0 -1,9351 0,396998556116706
3647 3647.mol2, BDB-kin3647.pdbqt 250,42 74,17 -4,609 374,241 2,7468 6 2 0 0,98292 0,597329982168207
3648 3648.mol2, BDB-kin3648.pdbqt 258,17 103,19 -4,504 390,24 1,93 7 4 0 -0,11299 0,521761689935723
3649 3649.mol2, BDB-kin3649.pdbqt 269,27 94,4 -4,48 404,267 2,1794 7 3 0 1,8925 0,38999717676685
3650 3650.mol2, BDB-kin3650.pdbqt 258,17 103,19 -4,504 390,24 1,93 7 4 0 -2,9193 0,372663690966168
These data are only available for scientific research purposes.