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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
111653 BDB-kin115629.mol2, BDB-kin115629.pdbqt 285,79 88,24 -2,393 350,425 1,9536 7 1 0 1,9871 0,823680353167136
111654 BDB-kin115630.mol2, BDB-kin115630.pdbqt 287,44 67,93 -4,398 375,397 3,7051 5 1 0 -7,1452 0,333915325724175
111655 BDB-kin115631.mol2, BDB-kin115631.pdbqt 268,59 67,93 -3,946 343,38 3,0907 5 1 0 -7,7508 0,380480406160871
111656 BDB-kin115632.mol2, BDB-kin115632.pdbqt 296,62 113,69 -2,813 386,479 1,5155 8 1 0 -0,1136 0,618127012721778
111657 BDB-kin115633.mol2, BDB-kin115633.pdbqt 280,24 77,16 -3,227 337,426 2,5273 6 1 0 -0,41948 0,583708538797452
111658 BDB-kin115634.mol2, BDB-kin115634.pdbqt 278,09 88,16 -3,151 337,426 2,2941 6 2 0 -3,3095 0,438240596471709
111659 BDB-kin115635.mol2, BDB-kin115635.pdbqt 294 77,16 -3,527 351,453 2,9336 6 1 0 -5,5219 0,398672660588536
111661 BDB-kin115636.mol2, BDB-kin115636.pdbqt 264,33 88,16 -3,099 323,399 2,0994 6 2 0 -0,055106 0,6404185866116
111662 BDB-kin115637.mol2, BDB-kin115637.pdbqt 278,09 88,16 -3,151 337,426 2,2941 6 2 0 -5,1764 0,425697567047176
111663 BDB-kin115638.mol2, BDB-kin115638.pdbqt 276,65 77,16 -3,096 337,426 2,4102 6 1 0 -3,9492 0,431186727555526
111664 BDB-kin115639.mol2, BDB-kin115639.pdbqt 282,3 71,17 -2,875 348,453 2,4266 6 1 0 1,0613 0,740201760720673
111665 BDB-kin115640.mol2, BDB-kin115640.pdbqt 268,2 104,21 -2,212 341,438 0,8549 6 1 0 -3,8133 0,460186242008888
111666 BDB-kin115641.mol2, BDB-kin115641.pdbqt 274,06 110,45 -2,738 357,437 1,1015 7 1 0 -6,7288 0,436107813190531
111667 BDB-kin115642.mol2, BDB-kin115642.pdbqt 274,69 97,03 -2,725 336,398 1,4198 7 2 0 0,44221 0,709935155785616
111668 BDB-kin115643.mol2, BDB-kin115643.pdbqt 305,56 80,4 -2,032 366,467 1,8044 7 1 0 1,1863 0,773721221393186
111669 BDB-kin115644.mol2, BDB-kin115644.pdbqt 268,04 71,17 -2,111 322,415 1,8969 6 1 0 3,1512 0,883661192269763
111670 BDB-kin115645.mol2, BDB-kin115645.pdbqt 255,48 77,16 -2,609 309,372 1,7875 6 1 0 -2,928 0,470877291745181
111671 BDB-kin115646.mol2, BDB-kin115646.pdbqt 245,48 67,93 -3,228 293,373 2,6095 5 1 0 -2,1268 0,472544156604662
111672 BDB-kin115647.mol2, BDB-kin115647.pdbqt 290,41 77,16 -3,336 351,453 2,8253 6 1 0 -0,14116 0,593630722803967
111673 BDB-kin115648.mol2, BDB-kin115648.pdbqt 289,91 86,39 -3,295 365,436 2,0313 7 1 0 -0,63035 0,556374314707613
These data are only available for scientific research purposes.