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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3671 3671.mol2, BDB-kin3671.pdbqt 270,83 100,03 -5,155 402,251 2,8862 7 3 0 -2,5013 0,327900674310179
3672 3672.mol2, BDB-kin3672.pdbqt 254,41 91,24 -4,591 388,224 2,2268 7 2 0 -2,9177 0,366043220768254
3673 3673.mol2, BDB-kin3673.pdbqt 267,9 125,48 -4,364 424,278 0,9534 8 3 0 -12,529 0,351033388945504
3674 3674.mol2, BDB-kin3674.pdbqt 211,34 62,73 -4,35 265,319 2,6365 5 2 0 -0,14622 0,563816088049909
3675 3675.mol2, BDB-kin3675.pdbqt 288,94 65,97 -4,313 350,468 3,2451 6 2 0 2,4071 0,68670866201619
3676 3676.mol2, BDB-kin3676.pdbqt 302,2 75,2 -4,11 378,478 2,7597 7 2 0 2,3522 0,704595831229994
3677 3677.mol2, BDB-kin3677.pdbqt 314,76 69,21 -3,612 391,521 2,8691 7 2 0 10,199 0,761207979935898
3678 3678.mol2, BDB-kin3678.pdbqt 288,08 80,55 -4,035 359,436 2,7286 7 2 0 3,8206 0,749448891018783
3679 3679.mol2, BDB-kin3679.pdbqt 274,69 91,41 -4,624 345,409 2,6989 7 3 0 1,7737 0,657367804964085
3680 3680.mol2, BDB-kin3680.pdbqt 189,54 63,59 -3,612 257,684 2,7025 5 1 0 -0,76536 0,551232303514975
3681 3681.mol2, BDB-kin3681.pdbqt 197,84 75,62 -3,438 252,28 1,8709 6 2 0 0,026468 0,657195657963387
3682 3682.mol2, BDB-kin3682.pdbqt 208,17 63,59 -4,446 336,58 3,4277 5 1 0 -2,5554 0,375854994876027
3683 3683.mol2, BDB-kin3683.pdbqt 201,27 89,61 -4,288 317,149 2,2718 6 2 0 -2,7253 0,408253445402962
3684 3684.mol2, BDB-kin3684.pdbqt 216,47 75,62 -4,272 331,176 2,5961 6 2 0 -1,7635 0,433173517379853
3685 3685.mol2, BDB-kin3685.pdbqt 227,57 66,83 -4,248 345,203 2,8455 6 1 0 -1,156 0,460086713687318
3686 3686.mol2, BDB-kin3686.pdbqt 215,01 72,82 -4,23 332,16 2,8791 6 1 0 -2,7293 0,397865319627518
3687 3687.mol2, BDB-kin3687.pdbqt 266,55 78,86 -3,695 388,272 2,2959 7 2 0 1,48 0,703680911928507
3688 3688.mol2, BDB-kin3688.pdbqt 293,57 88,09 -3,762 430,309 2,2649 8 2 0 0,7725 0,61508979393567
3689 3689.mol2, BDB-kin3689.pdbqt 307,33 88,09 -4,032 444,336 2,7193 8 2 0 0,62986 0,56431628286756
3690 3690.mol2, BDB-kin3690.pdbqt 279,82 104,3 -4,546 411,266 2,6585 8 3 0 0,07 0,509631436919683
These data are only available for scientific research purposes.