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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
4292 4292.mol2, BDB-kin4292.pdbqt 173,73 67,81 -2,966 210,235 1,9487 3 1 0 -12,137 0,272127559536155
4293 4293.mol2, BDB-kin4293.pdbqt 222,59 121,78 -2,928 297,265 1,773 6 4 0 -3,8095 0,453979648615869
4294 4294.mol2, BDB-kin4294.pdbqt 216,24 81,32 -3,834 283,257 2,5652 4 2 0 -5,1495 0,410608057726561
4295 4295.mol2, BDB-kin4295.pdbqt 222,15 81,32 -3,864 279,294 2,8083 4 2 0 -3,8421 0,411851315269869
4296 4296.mol2, BDB-kin4296.pdbqt 209,89 81,32 -3,52 265,267 2,4644 4 2 0 -3,8095 0,433872424870393
4297 4297.mol2, BDB-kin4297.pdbqt 225,31 81,32 -4,256 299,712 3,0704 4 2 0 -3,7205 0,385493740226939
4298 4298.mol2, BDB-kin4298.pdbqt 233,56 127,14 -3,98 310,264 1,5428 7 2 0 -8,8943 0,407298783590165
4299 4299.mol2, BDB-kin4299.pdbqt 205,83 109,56 -3,53 271,295 2,331 4 2 0 -1,7131 0,490301274559843
4300 4300.mol2, BDB-kin4300.pdbqt 246,67 81,32 -4,552 307,348 3,4961 4 2 0 -3,8421 0,285427349888031
4301 4301.mol2, BDB-kin4301.pdbqt 158,65 107,34 -1,755 204,185 0,2367 5 3 0 -3,1609 0,401050619049457
4302 4302.mol2, BDB-kin4302.pdbqt 246,11 93,35 -3,065 308,336 2,293 5 3 0 -0,28693 0,618823624899561
4303 4303.mol2, BDB-kin4303.pdbqt 262,63 93,35 -3,376 322,363 2,8908 5 3 0 -3,457 0,423557047327339
4304 4304.mol2, BDB-kin4304.pdbqt 221,35 93,35 -3,178 280,282 2,2969 5 3 0 -1,7495 0,500050456715835
4305 4305.mol2, BDB-kin4305.pdbqt 246,11 93,35 -3,065 308,336 2,293 5 3 0 -0,28693 0,618823624899561
4306 4306.mol2, BDB-kin4306.pdbqt 248,87 93,35 -3,106 308,336 2,4364 5 3 0 -1,1839 0,530847972338476
4307 4307.mol2, BDB-kin4307.pdbqt 236,77 93,35 -3,914 314,727 2,9029 5 3 0 -1,6896 0,363245665615153
4308 4308.mol2, BDB-kin4308.pdbqt 276,39 93,35 -3,646 336,39 3,3452 5 3 0 -5,337 0,38914746533716
4309 4309.mol2, BDB-kin4309.pdbqt 301,38 119,65 -3,387 380,399 2,3536 7 3 0 -3,4943 0,329976129355459
4310 4310.mol2, BDB-kin4310.pdbqt 229,39 93,35 -3,245 286,33 2,1439 5 3 0 -5,8177 0,435739254163585
4311 4311.mol2, BDB-kin4311.pdbqt 293,39 111,81 -3,142 368,388 2,2964 7 3 0 -1,1187 0,514757953248315
These data are only available for scientific research purposes.