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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3163 3163.mol2, BDB-kin3163.pdbqt 283,13 76,26 -2,379 385,422 1,1788 6 2 0 5,7283 0,857908549035157
3164 3164.mol2, BDB-kin3164.pdbqt 296,89 76,26 -2,649 399,449 1,6332 6 2 0 3,8833 0,82385943101196
3165 3165.mol2, BDB-kin3165.pdbqt 310,65 76,26 -2,919 413,476 2,0876 6 2 0 0,3243 0,379229842453465
3166 3166.mol2, BDB-kin3166.pdbqt 324,41 76,26 -3,189 427,503 2,542 6 2 0 -4,2557 0,231564826589219
3167 3167.mol2, BDB-kin3167.pdbqt 285,3 82,05 -2,455 384,438 0,781 6 2 0 0,40967 0,689236993155709
3169 3169.mol2, BDB-kin3169.pdbqt 312,82 82,05 -2,995 412,492 1,6898 6 2 0 4,5016 0,799916870023789
3170 3170.mol2, BDB-kin3170.pdbqt 326,58 82,05 -3,265 426,518 2,1442 6 2 0 2,4854 0,738597893050699
3171 3171.mol2, BDB-kin3171.pdbqt 314,26 68,06 -2,641 412,492 1,5869 6 2 0 6,5683 0,818962721346587
3173 3173.mol2, BDB-kin3173.pdbqt 344,37 59,27 -2,014 441,553 0,8654 6 1 0 5,4001 0,805966750468016
3174 3174.mol2, BDB-kin3174.pdbqt 323,1 131,2 -2,657 443,53 1,1401 7 3 0 5,9862 0,785980924269945
3175 3175.mol2, BDB-kin3175.pdbqt 336,86 131,2 -2,927 457,557 1,5945 7 3 0 6,0672 0,753743976641395
3176 3176.mol2, BDB-kin3176.pdbqt 350,62 131,2 -3,197 471,583 2,0489 7 3 0 5,1673 0,715850683860965
3177 3177.mol2, BDB-kin3177.pdbqt 364,38 131,2 -3,467 485,61 2,5033 7 3 0 3,2873 0,664113442332282
3178 3178.mol2, BDB-kin3178.pdbqt 357,16 152,26 -4,135 485,503 -0,046 11 3 1 3,8559 0,648477561492898
3179 3179.mol2, BDB-kin3179.pdbqt 330,55 120,43 -3,326 440,506 0,796 8 3 0 6,349 0,763334510384898
3180 3180.mol2, BDB-kin3180.pdbqt 333,13 105,9 -2,427 439,518 1,3956 7 3 0 0,79156 0,403428873123906
3181 3181.mol2, BDB-kin3181.pdbqt 344,51 190,69 -3,923 481,412 1,7387 11 6 2 1,4803 0,604655263921175
3182 3182.mol2, BDB-kin3182.pdbqt 394,99 202,72 -4,55 550,518 -0,0662 12 7 3 2,3015 0,518351724928767
3183 3183.mol2, BDB-kin3183.pdbqt 369,77 190,69 -5,035 521,477 2,6207 11 6 3 -0,34667 0,362486560826482
3184 3184.mol2, BDB-kin3184.pdbqt 494,43 236,45 -5,48 704,707 3,463 14 6 3 -0,98555 0,216114731331169
These data are only available for scientific research purposes.