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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3338 3338.mol2, BDB-kin3338.pdbqt 227,1 76,72 -4,605 319,289 2,3513 5 2 0 -7,3657 0,366596685027406
3339 3339.mol2, BDB-kin3339.pdbqt 227,1 76,72 -4,605 319,289 2,3513 5 2 0 -7,3657 0,366596685027406
3340 3340.mol2, BDB-kin3340.pdbqt 227,1 76,72 -4,605 319,289 2,3513 5 2 0 -7,3657 0,366596685027406
3341 3341.mol2, BDB-kin3341.pdbqt 219,9 85,95 -3,845 281,318 1,433 6 2 0 -0,21714 0,606409110601838
3342 3342.mol2, BDB-kin3342.pdbqt 219,9 85,95 -3,845 281,318 1,433 6 2 0 -0,21714 0,606409110601838
3343 3343.mol2, BDB-kin3343.pdbqt 219,9 85,95 -3,845 281,318 1,433 6 2 0 -0,21714 0,606409110601838
3344 3344.mol2, BDB-kin3344.pdbqt 206,16 102,74 -3,903 266,307 0,8257 6 3 0 -0,17566 0,614105166961632
3345 3345.mol2, BDB-kin3345.pdbqt 206,16 102,74 -3,903 266,307 0,8257 6 3 0 -0,17566 0,614105166961632
3346 3346.mol2, BDB-kin3346.pdbqt 206,16 102,74 -3,903 266,307 0,8257 6 3 0 -0,17566 0,614105166961632
3347 3347.mol2, BDB-kin3347.pdbqt 232,46 79,96 -3,863 294,361 1,3994 6 2 0 1,0675 0,726436234629529
3348 3348.mol2, BDB-kin3348.pdbqt 232,46 79,96 -3,863 294,361 1,3994 6 2 0 1,0675 0,726436234629529
3349 3349.mol2, BDB-kin3349.pdbqt 232,46 79,96 -3,863 294,361 1,3994 6 2 0 1,0675 0,435861740777717
3350 3350.mol2, BDB-kin3350.pdbqt 323,06 118,66 -3,476 438,575 3,1992 6 2 0 3,7678 0,701115833055022
3351 3351.mol2, BDB-kin3351.pdbqt 491,36 192,42 -6,62 648,854 3,8356 8 6 2 0,045071 0,221773822300529
3352 3352.mol2, BDB-kin3352.pdbqt 355,02 62,46 -5,302 618,492 5,9818 6 0 2 -26,251 8,12218983494766E-02
3353 3353.mol2, BDB-kin3353.pdbqt 253,34 84,46 -3,472 506,277 2,8336 6 2 1 -1,6386 0,223193125570191
3354 3354.mol2, BDB-kin3354.pdbqt 288,08 68,06 -3,456 532,363 2,741 6 2 1 0,15366 0,281522362760812
3355 3355.mol2, BDB-kin3355.pdbqt 443,28 74,54 -3,502 702,661 3,7658 8 2 1 5,9558 0,26106150327906
3356 3356.mol2, BDB-kin3356.pdbqt 264,3 89,78 -4,13 504,309 2,4754 6 4 1 -0,60281 0,247838566923336
3357 3357.mol2, BDB-kin3357.pdbqt 419,5 96,26 -4,176 674,608 3,5002 8 4 1 5,4256 0,255819550800187
These data are only available for scientific research purposes.