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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3691 3691.mol2, BDB-kin3691.pdbqt 293,21 93,44 -3,957 425,293 2,6882 8 2 0 2,1365 0,672684101840759
3692 3692.mol2, BDB-kin3692.pdbqt 201,8 63,59 -3,956 271,71 3,0464 5 1 0 -0,90842 0,509174273866696
3693 3693.mol2, BDB-kin3693.pdbqt 194,9 89,61 -3,798 252,28 1,8905 6 2 0 -1,0636 0,530598318379352
3694 3694.mol2, BDB-kin3694.pdbqt 210,1 75,62 -3,782 266,307 2,2148 6 2 0 -0,14622 0,611422460970487
3695 3695.mol2, BDB-kin3695.pdbqt 221,2 66,83 -3,758 280,334 2,4642 6 1 0 0,47917 0,668679716306248
3696 3696.mol2, BDB-kin3696.pdbqt 287,2 88,09 -3,272 365,44 1,8836 8 2 0 2,4865 0,798007078453776
3697 3697.mol2, BDB-kin3697.pdbqt 273,45 104,3 -4,056 346,397 2,2772 8 3 0 1,7737 0,720167681449437
3700 3700.mol2, BDB-kin3700.pdbqt 239,32 82,96 -4,633 360,214 2,4974 6 3 0 -1,9351 0,396998556116706
3701 3701.mol2, BDB-kin3701.pdbqt 250,42 74,17 -4,609 374,241 2,7468 6 2 0 0,98292 0,597329982168207
3702 3702.mol2, BDB-kin3702.pdbqt 258,17 103,19 -4,504 390,24 1,93 7 4 0 -0,11299 0,521761689935723
3715 3715.mol2, BDB-kin3715.pdbqt 277,73 75,62 -5,368 407,274 3,435 6 2 0 -1,8833 0,319223852974228
3716 3716.mol2, BDB-kin3716.pdbqt 291,49 75,62 -5,504 421,301 3,9191 6 2 0 -1,5908 0,302229999379743
3717 3717.mol2, BDB-kin3717.pdbqt 281,06 91,41 -5,114 410,278 3,0802 7 3 0 0,07 0,456161657110654
3718 3718.mol2, BDB-kin3718.pdbqt 294,45 80,55 -4,525 424,305 3,1099 7 2 0 2,1365 0,61259263881159
3719 3719.mol2, BDB-kin3719.pdbqt 268,39 57,18 -4,385 399,295 3,1492 6 1 0 5,7623 0,679122168465037
3720 3720.mol2, BDB-kin3720.pdbqt 243,31 100,03 -4,615 374,197 1,9774 7 3 0 -4,6097 0,357757312482266
3721 3721.mol2, BDB-kin3721.pdbqt 254,41 91,24 -4,591 388,224 2,2268 7 2 0 -2,9177 0,366043220768254
3722 3722.mol2, BDB-kin3722.pdbqt 257,07 100,03 -4,885 388,224 2,4318 7 3 0 -1,6365 0,384201167496813
3724 3724.mol2, BDB-kin3724.pdbqt 214,5 62,73 -4,742 285,737 2,8986 5 2 0 0,054101 0,539727229833806
3725 3725.mol2, BDB-kin3725.pdbqt 228,54 62,73 -4,784 319,289 3,1409 5 2 0 -7,1888 0,343937728250818
These data are only available for scientific research purposes.