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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3288 3288.mol2, BDB-kin3288.pdbqt 218,97 67,27 -3,743 281,314 2,4141 5 2 0 -0,17672 0,603562007645979
3289 3289.mol2, BDB-kin3289.pdbqt 234,88 56,27 -4,057 295,341 2,6898 5 1 0 -0,1964 0,572154765438351
3290 3290.mol2, BDB-kin3290.pdbqt 218,9 83,63 -5,51 345,155 3,0987 6 1 0 -8,132 0,29986064455161
3291 3291.mol2, BDB-kin3291.pdbqt 203,75 63,83 -5,126 315,173 3,343 4 2 0 -2,7253 0,20454591046848
3292 3292.mol2, BDB-kin3292.pdbqt 217,49 47,04 -5,068 330,184 3,9503 4 1 0 -2,7293 0,322715549533928
3293 3293.mol2, BDB-kin3293.pdbqt 218,9 83,63 -5,51 345,155 3,0987 6 1 0 -8,132 0,29986064455161
3304 3304.mol2, BDB-kin3304.pdbqt 183,88 76,72 -4,022 237,265 1,9683 5 2 0 -0,9353 0,529538318376869
3305 3305.mol2, BDB-kin3305.pdbqt 207,55 122,54 -4,482 282,262 0,8763 8 2 0 -6,3321 0,390342888525697
3306 3306.mol2, BDB-kin3306.pdbqt 207,55 122,54 -4,482 282,262 0,8763 8 2 0 -6,3321 0,390342888525697
3307 3307.mol2, BDB-kin3307.pdbqt 207,55 122,54 -4,482 282,262 0,8763 8 2 0 -6,3321 0,390342888525697
3308 3308.mol2, BDB-kin3308.pdbqt 202,51 76,72 -4,856 316,161 2,6935 5 2 0 -2,7253 0,369834420974487
3309 3309.mol2, BDB-kin3309.pdbqt 202,51 76,72 -4,856 316,161 2,6935 5 2 0 -2,7253 0,369834420974487
3310 3310.mol2, BDB-kin3310.pdbqt 202,51 76,72 -4,856 316,161 2,6935 5 2 0 -2,7253 0,369834420974487
3311 3311.mol2, BDB-kin3311.pdbqt 213,34 76,72 -4,8 305,262 2,8166 5 2 0 -8,0943 0,351744024627889
3312 3312.mol2, BDB-kin3312.pdbqt 213,34 76,72 -4,8 305,262 2,8166 5 2 0 -8,0943 0,351744024627889
3313 3313.mol2, BDB-kin3313.pdbqt 213,34 76,72 -4,8 305,262 2,8166 5 2 0 -8,0943 0,351744024627889
3314 3314.mol2, BDB-kin3314.pdbqt 206,14 85,95 -4,04 267,291 1,8983 6 2 0 -0,95417 0,523160454507833
3315 3315.mol2, BDB-kin3315.pdbqt 206,14 85,95 -4,04 267,291 1,8983 6 2 0 -0,95417 0,523160454507833
3316 3316.mol2, BDB-kin3316.pdbqt 206,14 85,95 -4,04 267,291 1,8983 6 2 0 -0,95417 0,523160454507833
3317 3317.mol2, BDB-kin3317.pdbqt 192,4 102,74 -4,098 252,28 1,291 6 3 0 -0,9353 0,528680641409763
These data are only available for scientific research purposes.