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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3066 3066.mol2, BDB-kin3066.pdbqt 367,56 64,6 -4,471 489,449 3,7187 7 1 0 8,03 0,555963940829664
3067 3067.mol2, BDB-kin3067.pdbqt 296,64 71,01 -5,221 412,279 3,0485 6 1 0 4,1575 0,585361115734115
3068 3068.mol2, BDB-kin3068.pdbqt 296,64 71,01 -5,197 412,279 2,9945 6 1 0 4,1575 0,58957140626639
3069 3069.mol2, BDB-kin3069.pdbqt 310,4 71,01 -5,333 426,306 3,4786 6 1 0 4,3462 0,547413311497846
3070 3070.mol2, BDB-kin3070.pdbqt 317,26 95,42 -5,524 435,31 3,5249 7 2 0 -5,3718 0,263255191202397
3071 3071.mol2, BDB-kin3071.pdbqt 284,12 58,12 -6,187 397,264 4,4607 5 1 0 3,7896 0,441554102442561
3072 3072.mol2, BDB-kin3072.pdbqt 297,88 58,12 -6,487 411,291 4,867 5 1 0 4,3045 0,393122914393015
3073 3073.mol2, BDB-kin3073.pdbqt 282,88 71,01 -5,392 398,252 3,4598 6 1 0 3,7896 0,560582577164878
3074 3074.mol2, BDB-kin3074.pdbqt 305,14 80,24 -5,935 428,278 3,7412 7 1 0 3,8063 0,480081810053948
3075 3075.mol2, BDB-kin3075.pdbqt 282,88 71,01 -5,392 398,252 3,4598 6 1 0 3,7896 0,560582577164878
3076 3076.mol2, BDB-kin3076.pdbqt 296,64 71,01 -5,692 412,279 3,8661 6 1 0 4,3045 0,506477434937802
3077 3077.mol2, BDB-kin3077.pdbqt 299,54 58,12 -6,923 431,709 5,0667 5 1 1 3,7896 0,350263458837943
3078 3078.mol2, BDB-kin3078.pdbqt 302,75 58,12 -7,021 476,16 5,1859 5 1 1 1,9996 0,299861037722013
3079 3079.mol2, BDB-kin3079.pdbqt 296,38 58,12 -6,531 411,291 4,8046 5 1 0 3,7403 0,392946359089268
3080 3080.mol2, BDB-kin3080.pdbqt 306,38 67,35 -6,205 427,29 4,3907 6 1 0 3,8063 0,427530211959328
3081 3081.mol2, BDB-kin3081.pdbqt 306,38 67,35 -6,205 427,29 4,3907 6 1 0 3,8063 0,427530211959328
3082 3082.mol2, BDB-kin3082.pdbqt 306,38 67,35 -6,205 427,29 4,3907 6 1 0 3,8063 0,427530211959328
3083 3083.mol2, BDB-kin3083.pdbqt 290,47 78,35 -5,891 413,263 4,115 6 2 0 3,7933 0,473967923300292
3084 3084.mol2, BDB-kin3084.pdbqt 290,47 78,35 -5,891 413,263 4,115 6 2 0 3,7933 0,473967923300292
3085 3085.mol2, BDB-kin3085.pdbqt 304,23 78,35 -6,071 427,29 3,8634 6 2 0 3,7139 0,371617622597025
These data are only available for scientific research purposes.