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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3954 3954.mol2, BDB-kin3954.pdbqt 197,95 47,28 -5,018 254,288 2,0543 4 1 0 0,53982 0,580031328020417
3955 3955.mol2, BDB-kin3955.pdbqt 197,38 44,12 -5,458 252,272 2,5849 4 0 0 -1,4578 0,38581855056752
3956 3956.mol2, BDB-kin3956.pdbqt 154,29 81,42 -3,057 207,252 0,8454 3 2 0 0,21816 0,427426349128548
3957 3957.mol2, BDB-kin3957.pdbqt 165,39 72,63 -3,033 221,279 1,2037 3 1 0 1,7843 0,846925007685478
3958 3958.mol2, BDB-kin3958.pdbqt 170,2 70,42 -3,185 221,279 1,2733 3 1 0 -5,3284 0,272327366007478
3959 3959.mol2, BDB-kin3959.pdbqt 181,3 61,63 -3,161 235,306 1,6316 3 0 0 -3,7784 0,45880931517363
3960 3960.mol2, BDB-kin3960.pdbqt 168,05 81,42 -3,327 221,279 1,2998 3 2 0 -1,0967 0,335488525971817
3961 3961.mol2, BDB-kin3961.pdbqt 179,15 72,63 -3,303 235,306 1,6581 3 1 0 0,45456 0,716126148605897
3962 3962.mol2, BDB-kin3962.pdbqt 183,96 70,42 -3,455 235,306 1,7277 3 1 0 -8,7495 0,263290434947294
3963 3963.mol2, BDB-kin3963.pdbqt 195,06 61,63 -3,431 249,333 2,086 3 0 0 -7,2141 0,434996682901204
3964 3964.mol2, BDB-kin3964.pdbqt 181,81 81,42 -3,597 235,306 1,7542 3 2 0 -4,5996 0,262605130867431
3965 3965.mol2, BDB-kin3965.pdbqt 192,91 72,63 -3,573 249,333 2,1125 3 1 0 -3,068 0,448427326908394
4091 4091.mol2, BDB-kin4091.pdbqt 157,43 96,71 -2,458 231,206 1,6331 5 5 0 -0,91727 0,597345345892028
4092 4092.mol2, BDB-kin4092.pdbqt 157,43 96,71 -2,458 231,206 1,6331 5 5 0 -0,91727 0,597345345892028
4093 4093.mol2, BDB-kin4093.pdbqt 176,06 96,71 -3,292 310,103 2,3583 5 5 0 -2,7073 0,45218072834202
4094 4094.mol2, BDB-kin4094.pdbqt 230,58 85,85 -2,911 321,331 3,1234 5 4 0 1,5071 0,760111011316477
3966 3966.mol2, BDB-kin3966.pdbqt 197,72 70,42 -3,725 249,333 2,1821 3 1 0 -15,56 0,253596590029221
3967 3967.mol2, BDB-kin3967.pdbqt 208,82 61,63 -3,701 263,36 2,5404 3 0 0 -14,024 0,417002005393254
3968 3968.mol2, BDB-kin3968.pdbqt 217,58 118,72 -3,631 293,342 0,7043 5 3 0 -1,0967 0,321872420500866
3969 3969.mol2, BDB-kin3969.pdbqt 249,4 96,72 -3,887 321,396 1,5601 5 1 0 -8,7495 0,245274361572959
These data are only available for scientific research purposes.