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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3970 3970.mol2, BDB-kin3970.pdbqt 315,77 114,23 -4,036 407,486 1,9307 7 0 0 -6,8494 0,369583928243451
3971 3971.mol2, BDB-kin3971.pdbqt 292,06 156,78 -4,096 412,489 3,0224 6 4 0 0,6765 0,581767533248346
3972 3972.mol2, BDB-kin3972.pdbqt 315,84 135,06 -3,422 440,543 3,288 6 2 0 1,7465 0,653298045462133
3973 3973.mol2, BDB-kin3973.pdbqt 143,46 69,56 -2,05 179,174 0,3231 4 3 0 -0,54615 0,393840488440032
3974 3974.mol2, BDB-kin3974.pdbqt 323,88 134,78 -4,352 440,543 3,8782 6 2 0 -4,8558 0,30588517779098
3975 3975.mol2, BDB-kin3975.pdbqt 347,66 113,06 -3,678 468,597 4,1438 6 0 0 -3,7944 0,309911581081146
3976 3976.mol2, BDB-kin3976.pdbqt 330,17 87,76 -3,516 436,531 3,8421 6 0 0 -3,4822 0,345986325881653
3977 3977.mol2, BDB-kin3977.pdbqt 309,55 182,08 -4,695 444,555 2,4279 6 4 0 0,6765 0,524559902686876
3978 3978.mol2, BDB-kin3978.pdbqt 341,37 160,08 -4,951 472,609 3,2837 6 2 0 -4,8558 0,278302535142639
3979 3979.mol2, BDB-kin3979.pdbqt 319,58 156,78 -4,636 440,543 3,9312 6 4 0 -0,62312 0,390817181767063
3980 3980.mol2, BDB-kin3980.pdbqt 343,36 135,06 -3,962 468,597 4,1968 6 2 0 0,43921 0,470600594907347
3981 3981.mol2, BDB-kin3981.pdbqt 351,4 134,78 -4,892 468,597 4,787 6 2 0 -8,2759 0,236185441440399
3982 3982.mol2, BDB-kin3982.pdbqt 375,18 113,06 -4,218 496,65 5,0526 6 0 1 -7,223 0,236778189204416
3983 3983.mol2, BDB-kin3983.pdbqt 344,1 156,78 -5,324 468,597 4,619 6 4 0 -0,62075 0,30412401849743
3984 3984.mol2, BDB-kin3984.pdbqt 344,1 156,78 -5,324 468,597 4,619 6 4 0 -0,62075 0,30412401849743
3985 3985.mol2, BDB-kin3985.pdbqt 344,1 156,78 -5,324 468,597 4,619 6 4 0 -0,62075 0,182474411098458
3986 3986.mol2, BDB-kin3986.pdbqt 347,1 156,78 -5,176 468,597 4,84 6 4 0 -4,1172 0,226842097914
3987 3987.mol2, BDB-kin3987.pdbqt 370,88 135,06 -4,502 496,65 5,1056 6 2 1 -3,0657 0,235631154640645
3988 3988.mol2, BDB-kin3988.pdbqt 378,92 134,78 -5,432 496,65 5,6958 6 2 1 -15,086 0,175295677159129
3989 3989.mol2, BDB-kin3989.pdbqt 402,7 113,06 -4,758 524,704 5,9614 6 0 2 -14,033 0,177568476581199
These data are only available for scientific research purposes.