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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3651 3651.mol2, BDB-kin3651.pdbqt 272,03 94,4 -4,402 404,267 2,2264 7 3 0 0,20677 0,15691352430741
3652 3652.mol2, BDB-kin3652.pdbqt 314,72 163,88 -4,117 480,318 0,2278 10 7 1 0,73553 0,555254343736476
3653 3653.mol2, BDB-kin3653.pdbqt 325,82 155,09 -4,093 494,345 0,4772 10 6 1 2,4475 0,620202201348371
3654 3654.mol2, BDB-kin3654.pdbqt 267,79 65,97 -4,263 387,284 2,7176 6 2 0 1,48 0,650753397438139
3655 3655.mol2, BDB-kin3655.pdbqt 281,55 65,97 -4,533 401,311 3,172 6 2 0 2,5434 0,639240670043528
3656 3656.mol2, BDB-kin3656.pdbqt 295,31 65,97 -4,803 415,338 3,6264 6 2 0 0,73239 0,505745708157281
3657 3657.mol2, BDB-kin3657.pdbqt 309,07 65,97 -5,073 429,365 4,0808 6 2 0 -2,3076 0,294429219553656
3658 3658.mol2, BDB-kin3658.pdbqt 278,89 57,18 -4,239 401,311 2,967 6 1 0 1,1449 0,614905776721928
3659 3659.mol2, BDB-kin3659.pdbqt 294,81 75,2 -4,33 429,321 2,6866 7 2 0 0,7725 0,567887916889066
3660 3660.mol2, BDB-kin3660.pdbqt 308,57 75,2 -4,6 443,348 3,141 7 2 0 0,62986 0,512353491833404
3661 3661.mol2, BDB-kin3661.pdbqt 322,33 75,2 -4,87 457,375 3,5954 7 2 0 -0,56526 0,38231436115836
3662 3662.mol2, BDB-kin3662.pdbqt 310,44 89,03 -2,431 459,347 1,9972 8 2 0 -6,235 0,382003351962801
3663 3663.mol2, BDB-kin3663.pdbqt 321,13 69,21 -4,102 456,39 3,2504 7 2 0 8,5531 0,644544713220667
3664 3664.mol2, BDB-kin3664.pdbqt 311,01 106,43 -3,849 447,336 1,6768 8 4 0 -1,2455 0,125884629396874
3665 3665.mol2, BDB-kin3665.pdbqt 324,77 106,43 -4,119 461,363 2,1312 8 4 0 -1,2915 0,117322275215916
3666 3666.mol2, BDB-kin3666.pdbqt 213,97 88,75 -4,574 331,176 3,3333 6 3 0 -5,745 0,209370452432448
3667 3667.mol2, BDB-kin3667.pdbqt 294,45 80,55 -4,525 424,305 3,1099 7 2 0 2,1365 0,61259263881159
3668 3668.mol2, BDB-kin3668.pdbqt 281,06 91,41 -5,114 410,278 3,0802 7 3 0 0,07 0,456161657110654
3669 3669.mol2, BDB-kin3669.pdbqt 243,31 100,03 -4,615 374,197 1,9774 7 3 0 -4,6097 0,357757312482266
3670 3670.mol2, BDB-kin3670.pdbqt 257,07 100,03 -4,885 388,224 2,4318 7 3 0 -1,6365 0,384201167496813
These data are only available for scientific research purposes.