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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3318 3318.mol2, BDB-kin3318.pdbqt 192,4 102,74 -4,098 252,28 1,291 6 3 0 -0,9353 0,253766707876686
3319 3319.mol2, BDB-kin3319.pdbqt 192,4 102,74 -4,098 252,28 1,291 6 3 0 -0,9353 0,162410693041079
3320 3320.mol2, BDB-kin3320.pdbqt 218,7 79,96 -4,058 280,334 1,8647 6 2 0 0,52917 0,66287258457941
3321 3321.mol2, BDB-kin3321.pdbqt 218,7 79,96 -4,058 280,334 1,8647 6 2 0 0,52917 0,66287258457941
3322 3322.mol2, BDB-kin3322.pdbqt 218,7 79,96 -4,058 280,334 1,8647 6 2 0 0,52917 0,238634130448587
3323 3323.mol2, BDB-kin3323.pdbqt 190,23 76,72 -4,336 255,255 2,0691 5 2 0 -2,2753 0,431092455700193
3324 3324.mol2, BDB-kin3324.pdbqt 199,3 76,72 -4,758 271,71 2,5743 5 2 0 -0,84718 0,471720180312226
3325 3325.mol2, BDB-kin3325.pdbqt 210,16 76,72 -5,038 363,157 2,4054 5 2 0 0,012525 0,49680458348683
3326 3326.mol2, BDB-kin3326.pdbqt 190,23 96,95 -3,726 253,264 1,6226 6 3 0 -1,008 0,541453197195222
3327 3327.mol2, BDB-kin3327.pdbqt 196,14 76,72 -4,366 251,292 2,3122 5 2 0 -1,0636 0,490778429183272
3328 3328.mol2, BDB-kin3328.pdbqt 182,64 89,61 -3,227 238,253 0,9674 6 2 0 -0,9353 0,577015453881329
3329 3329.mol2, BDB-kin3329.pdbqt 225,35 105,82 -4,364 294,317 1,672 7 3 0 0,41272 0,625374793223711
3330 3330.mol2, BDB-kin3330.pdbqt 225,35 105,82 -4,364 294,317 1,672 7 3 0 0,41272 0,135080955336321
3331 3331.mol2, BDB-kin3331.pdbqt 197,64 76,72 -3,827 251,292 1,503 5 2 0 -0,17566 0,617406788413861
3332 3332.mol2, BDB-kin3332.pdbqt 221,31 122,54 -4,287 296,289 0,411 8 2 0 -5,5048 0,400687738904614
3333 3333.mol2, BDB-kin3333.pdbqt 221,31 122,54 -4,287 296,289 0,411 8 2 0 -5,5048 0,400687738904614
3334 3334.mol2, BDB-kin3334.pdbqt 221,31 122,54 -4,287 296,289 0,411 8 2 0 -5,5048 0,400687738904614
3335 3335.mol2, BDB-kin3335.pdbqt 216,27 76,72 -4,661 330,188 2,2282 5 2 0 -1,9657 0,406669323752633
3336 3336.mol2, BDB-kin3336.pdbqt 216,27 76,72 -4,661 330,188 2,2282 5 2 0 -1,9657 0,406669323752633
3337 3337.mol2, BDB-kin3337.pdbqt 216,27 76,72 -4,661 330,188 2,2282 5 2 0 -1,9657 0,406669323752633
These data are only available for scientific research purposes.