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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3765 3765.mol2, BDB-kin3765.pdbqt 260,27 111,87 -6,426 390,344 3,921 6 1 0 -12,782 0,233019473974556
3766 3766.mol2, BDB-kin3766.pdbqt 249,44 111,87 -6,482 401,243 3,7979 6 1 0 -7,3823 0,231512044002532
3767 3767.mol2, BDB-kin3767.pdbqt 215,66 92,07 -5,264 292,365 3,317 4 2 0 -0,33083 0,216358570638907
3768 3768.mol2, BDB-kin3768.pdbqt 227,92 92,07 -5,608 306,392 3,6609 4 2 0 -0,41403 0,194261787846554
3769 3769.mol2, BDB-kin3769.pdbqt 245,12 92,07 -6,042 360,362 4,1653 4 2 0 -7,5208 0,118339065711135
3770 3770.mol2, BDB-kin3770.pdbqt 234,29 92,07 -6,098 371,261 4,0422 4 2 0 -2,1208 0,130474366338344
3771 3771.mol2, BDB-kin3771.pdbqt 249,44 111,87 -6,482 401,243 3,7979 6 1 0 -7,3823 0,231512044002532
3772 3772.mol2, BDB-kin3772.pdbqt 234,29 92,07 -6,098 371,261 4,0422 4 2 0 -2,1208 9,78557747537584E-02
3773 3773.mol2, BDB-kin3773.pdbqt 240,64 92,07 -6,412 389,251 4,143 4 2 0 -3,4608 0,234742850150416
3774 3774.mol2, BDB-kin3774.pdbqt 269,6 78,08 -6,696 417,305 4,8736 4 2 0 -2,9314 0,200895903015651
3775 3775.mol2, BDB-kin3775.pdbqt 248,03 75,28 -6,04 386,272 4,6495 4 1 0 -2,0909 0,249403867228349
3776 3776.mol2, BDB-kin3776.pdbqt 249,49 78,08 -6,082 385,288 4,3665 4 2 0 -1,3597 0,280445237217079
3777 3777.mol2, BDB-kin3777.pdbqt 260,59 69,29 -6,058 399,315 4,6159 4 1 0 -0,80625 0,290391163609662
3778 3778.mol2, BDB-kin3778.pdbqt 248,03 75,28 -6,04 386,272 4,6495 4 1 0 -2,0909 0,249403867228349
3779 3779.mol2, BDB-kin3779.pdbqt 249,44 111,87 -6,482 401,243 3,7979 6 1 0 -7,3823 0,231512044002532
3780 3780.mol2, BDB-kin3780.pdbqt 234,29 92,07 -6,098 371,261 4,0422 4 2 0 -2,1208 0,16309295792293
3781 3781.mol2, BDB-kin3781.pdbqt 248,03 75,28 -6,04 386,272 4,6495 4 1 0 -2,0909 0,249403867228349
3782 3782.mol2, BDB-kin3782.pdbqt 270,29 84,51 -6,058 416,298 4,5795 5 1 0 -2,0909 0,242324694143722
3783 3783.mol2, BDB-kin3783.pdbqt 221,32 78,94 -5,856 312,783 3,7958 4 1 0 -0,20417 0,396154757896382
3784 3784.mol2, BDB-kin3784.pdbqt 224,53 78,94 -5,954 357,234 3,915 4 1 0 -2,0682 0,286786849779473
These data are only available for scientific research purposes.