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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3298 3298.mol2, BDB-kin3298.pdbqt 217,49 47,04 -5,068 330,184 3,9503 4 1 0 -2,7293 0,322715549533928
3299 3299.mol2, BDB-kin3299.pdbqt 218,9 83,63 -5,51 345,155 3,0987 6 1 0 -8,132 0,29986064455161
3300 3300.mol2, BDB-kin3300.pdbqt 203,75 63,83 -5,126 315,173 3,343 4 2 0 -2,7253 0,20454591046848
3301 3301.mol2, BDB-kin3301.pdbqt 217,49 47,04 -5,068 330,184 3,9503 4 1 0 -2,7293 0,322715549533928
3302 3302.mol2, BDB-kin3302.pdbqt 207,93 78,27 -4,458 332,156 3,3289 5 3 0 -2,7556 0,374794121643853
3303 3303.mol2, BDB-kin3303.pdbqt 212,27 89,85 -5,202 330,188 2,6657 5 3 0 -2,7253 0,277214508763639
3234 3234.mol2, BDB-kin3234.pdbqt 393,53 199,92 -4,815 551,503 2,1956 12 6 3 -0,028261 0,378463804583463
3235 3235.mol2, BDB-kin3235.pdbqt 418,26 207,94 -6,968 624,544 3,9234 12 6 3 1,8673 0,270478639746037
3236 3236.mol2, BDB-kin3236.pdbqt 397,97 207,94 -6,109 570,573 2,1843 12 6 3 2,8402 0,383312783576282
3237 3237.mol2, BDB-kin3237.pdbqt 404,34 182,49 -6,104 588,49 3,3236 11 6 3 -27,709 0,180778947342957
3238 3238.mol2, BDB-kin3238.pdbqt 387,14 182,49 -5,364 534,519 2,8393 11 6 3 0,32055 0,369037890049763
3239 3239.mol2, BDB-kin3239.pdbqt 391,28 207,85 -6,304 545,507 2,402 13 6 3 -0,75776 0,264012412009021
3240 3240.mol2, BDB-kin3240.pdbqt 403,17 196,99 -5,623 559,534 2,9523 13 5 2 -3,6578 0,216563951900558
3241 3241.mol2, BDB-kin3241.pdbqt 403,17 196,99 -6,498 559,534 2,5707 13 5 2 0,075579 0,28626873249018
3242 3242.mol2, BDB-kin3242.pdbqt 366,6 177,78 -5,717 517,493 3,1542 11 6 3 1,8786 0,418203498405084
3243 3243.mol2, BDB-kin3243.pdbqt 383,38 191,72 -4,138 536,492 1,7411 12 6 3 0,62542 0,307462967821268
3244 3244.mol2, BDB-kin3244.pdbqt 397,14 191,72 -4,438 550,518 2,1474 12 6 3 -0,96983 0,17577249736707
3245 3245.mol2, BDB-kin3245.pdbqt 424,66 191,72 -4,978 578,572 3,0562 12 6 3 -2,1546 9,57391422355545E-02
3246 3246.mol2, BDB-kin3246.pdbqt 421,9 191,72 -4,868 578,572 2,8201 12 6 3 2,7034 0,1732344171139
3247 3247.mol2, BDB-kin3247.pdbqt 452,68 191,72 -5,764 618,637 3,4915 12 6 3 -1,9594 0,102898592293277
These data are only available for scientific research purposes.