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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50446989 50446989.mol2, BDB-kin50446989.pdbqt 284,87 121,68 -3,515 384,442 2,0764 8 2 0 2,472 0,459065419912439
50446990 50446990.mol2, BDB-kin50446990.pdbqt 266,24 109,23 -2,457 353,364 0,9329 9 3 0 2,3224 0,845770383132535
50446991 50446991.mol2, BDB-kin50446991.pdbqt 276,89 111,26 -3,15 368,379 0,4331 10 2 0 4,719 0,844297795163389
50446992 50446992.mol2, BDB-kin50446992.pdbqt 265 122,12 -2,956 354,352 0,2644 10 3 0 4,2687 0,862962251338591
50446993 50446993.mol2, BDB-kin50446993.pdbqt 292,39 98,37 -3,076 393,429 2,0439 9 2 0 3,0768 0,795793881862639
50446994 50446994.mol2, BDB-kin50446994.pdbqt 298,93 102,67 -3,556 394,413 2,0179 9 2 0 2,2153 0,747072271502659
50446995 50446995.mol2, BDB-kin50446995.pdbqt 276,67 93,44 -3,538 364,387 2,0879 8 2 0 2,3192 0,77383899859031
50446996 50446996.mol2, BDB-kin50446996.pdbqt 257,49 93,44 -2,773 348,772 1,377 8 2 0 2,3454 0,835022357070606
50447077 50447077.mol2, BDB-kin50447077.pdbqt 265,42 65,45 -3,024 354,409 0,9798 7 0 0 2,9639 0,840622303338976
50447078 50447078.mol2, BDB-kin50447078.pdbqt 342,48 80,72 -2,469 452,557 0,4282 9 1 0 7,1234 0,784752083082034
50447079 50447079.mol2, BDB-kin50447079.pdbqt 328,72 80,72 -2,991 438,53 0,5053 9 1 0 6,3943 0,783664609093633
50447080 50447080.mol2, BDB-kin50447080.pdbqt 312,84 87,13 -4,677 417,468 1,3852 8 1 0 2,6838 0,652540713667049
50447081 50447081.mol2, BDB-kin50447081.pdbqt 312,84 87,13 -4,677 417,468 1,3852 8 1 0 2,6838 0,652540713667049
50447082 50447082.mol2, BDB-kin50447082.pdbqt 312,84 87,13 -4,369 417,468 1,4762 8 1 0 2,6838 0,681709732754871
50447083 50447083.mol2, BDB-kin50447083.pdbqt 314,08 74,24 -5,472 416,48 2,3861 7 1 0 2,6838 0,56021397468337
50447084 50447084.mol2, BDB-kin50447084.pdbqt 296,87 83,47 -4,409 424,378 2,8164 8 1 0 2,6838 0,646683612363155
50447085 50447085.mol2, BDB-kin50447085.pdbqt 283,78 74,24 -4,164 408,379 1,5752 7 1 0 -4,5062 0,369524970565762
50447086 50447086.mol2, BDB-kin50447086.pdbqt 276,58 83,47 -3,404 370,408 0,6569 8 1 0 2,7436 0,644348581216634
50447087 50447087.mol2, BDB-kin50447087.pdbqt 266,58 74,24 -3,73 354,409 1,0708 7 1 0 2,6591 0,473787543484622
50447088 50447088.mol2, BDB-kin50447088.pdbqt 272,95 74,24 -4,22 419,278 1,4521 7 1 0 0,89381 0,61267824778206
These data are only available for scientific research purposes.