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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
2684 2684.mol2, BDB-kin2684.pdbqt 299,99 70,13 -5,1 410,476 3,59 6 2 0 6,597 0,580083082622451
2685 2685.mol2, BDB-kin2685.pdbqt 330,39 78,92 -4,012 438,529 2,5191 6 3 0 3,1971 0,682882124932593
2686 2686.mol2, BDB-kin2686.pdbqt 341,95 82,16 -2,547 453,544 1,5461 7 3 0 6,1451 0,618135003193058
2687 2687.mol2, BDB-kin2687.pdbqt 304,9 93,19 -3,096 413,432 1,5787 7 2 0 -0,46327 0,554550275243764
2688 2688.mol2, BDB-kin2688.pdbqt 287,15 76,12 -2,844 385,422 1,4739 6 2 0 4,9021 0,837158494011679
2689 2689.mol2, BDB-kin2689.pdbqt 309,48 53,06 -2,634 398,508 2,2868 5 2 0 7,8337 0,821313216331067
2690 2690.mol2, BDB-kin2690.pdbqt 324,47 70,13 -2,776 426,518 1,9389 6 2 0 7,6581 0,793583071133697
2691 2691.mol2, BDB-kin2691.pdbqt 287,17 92,91 -3,062 384,438 1,1026 6 3 0 3,3751 0,821193140573306
2692 2692.mol2, BDB-kin2692.pdbqt 327,73 70,13 -3,162 438,529 2,2622 6 2 0 7,2962 0,756719151359277
2693 2693.mol2, BDB-kin2693.pdbqt 340,49 79,36 -2,683 454,528 1,6896 7 2 0 5,1395 0,763966253391542
2694 2694.mol2, BDB-kin2694.pdbqt 327,73 70,13 -3,38 438,529 2,43 6 2 0 7,1448 0,741372233727871
2695 2695.mol2, BDB-kin2695.pdbqt 299,06 82,05 -2,725 398,465 1,2354 6 2 0 4,0588 0,827949618845359
2696 2696.mol2, BDB-kin2696.pdbqt 277,04 56,03 -3,229 381,434 3,1167 5 1 0 5,6369 0,780589166833444
2697 2697.mol2, BDB-kin2697.pdbqt 290,8 56,03 -3,499 395,461 3,4587 5 1 0 3,5945 0,72691562351454
2698 2698.mol2, BDB-kin2698.pdbqt 304,56 56,03 -3,769 409,488 3,8007 5 1 0 0,99694 0,592964903894177
2699 2699.mol2, BDB-kin2699.pdbqt 298,06 82,05 -2,958 410,476 2,0615 6 2 0 6,2722 0,801148286053865
2700 2700.mol2, BDB-kin2700.pdbqt 311,82 82,05 -3,228 424,503 2,4035 6 2 0 6,1297 0,765528424872539
2701 2701.mol2, BDB-kin2701.pdbqt 325,58 82,05 -3,498 438,529 2,8579 6 2 0 6,0241 0,721009010694429
2702 2702.mol2, BDB-kin2702.pdbqt 311,82 82,05 -3,228 424,503 2,4035 6 2 0 5,2222 0,764304551012646
2703 2703.mol2, BDB-kin2703.pdbqt 325,58 82,05 -3,498 438,529 2,8579 6 2 0 5,1149 0,719725209268748
These data are only available for scientific research purposes.