Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)(C(=O)O)c1cccc(Br)c1 |
MW: | 349.01 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 92.18 |
cLogP: | 1.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
MAR-TRE-8190bb11-36
0.677
MAR-TRE-4f781e27-78
0.633
MAR-TRE-66ac689e-75
0.556
MAR-TRE-8190bb11-92
0.551
MAR-TRE-be9ff7d2-65
0.547
MAR-TRE-66ac689e-23
0.530
MAR-TRE-4f781e27-32
0.530
MAR-TRE-66ac689e-14
0.530
MAR-TRE-8190bb11-22
0.500
MAR-TRE-8190bb11-62
0.485
MAR-TRE-66ac689e-70
0.485
MAR-TRE-c317dd82-76
0.479
MAR-TRE-8190bb11-74
0.452
MAR-TRE-92684b97-35
0.443
MAR-TRE-a9136c7b-81
0.438
MAR-TRE-66ac689e-86
0.423
MAR-TRE-799db12b-41
0.417
MAR-TRE-4f781e27-45
0.413
MAR-TRE-799db12b-75
0.405
MAR-TRE-be9ff7d2-28
0.403
MAR-TRE-799db12b-90
0.400
MAR-TRE-e82e6c98-9
0.392
MAR-TRE-8190bb11-58
0.390
MAR-TRE-4f781e27-43
0.387
MAR-TRE-799db12b-44
0.385
MAR-TRE-799db12b-66
0.382
MAR-TRE-92684b97-26
0.378
MAR-TRE-4f781e27-71
0.375
MAR-TRE-92684b97-66
0.370
MAR-TRE-8190bb11-20
0.367
MAR-TRE-8190bb11-42
0.365
MAR-TRE-92684b97-34
0.364
MAR-TRE-8190bb11-85
0.361
MAR-TRE-4f781e27-17
0.355
MAR-TRE-66ac689e-73
0.354
MAR-TRE-8190bb11-78
0.351
MAR-TRE-9d18ae8c-33
0.351
MAR-TRE-8190bb11-28
0.347
MAR-TRE-92684b97-17
0.347
MAR-TRE-9d18ae8c-6
0.346
MAR-TRE-92684b97-40
0.342
MAR-TRE-8190bb11-57
0.342
MAR-TRE-e82e6c98-39
0.342
MAR-TRE-9d18ae8c-43
0.341
MAR-TRE-e82e6c98-15
0.338
MAR-TRE-8190bb11-53
0.338
MAR-TRE-4f781e27-19
0.338
MAR-TRE-e82e6c98-89
0.338
MAR-TRE-66ac689e-37
0.338
MAR-TRE-8190bb11-71
0.333
MAR-TRE-4f781e27-37
0.333
MAR-TRE-4f781e27-46
0.333
MAR-TRE-9d18ae8c-53
0.333
MAR-TRE-92684b97-78
0.333
MAR-TRE-9d18ae8c-42
0.333
MAR-TRE-66ac689e-13
0.333
MAR-TRE-799db12b-16
0.329
MAR-TRE-799db12b-27
0.329
MAR-TRE-4f781e27-56
0.329
MAR-TRE-92684b97-91
0.329
MAR-TRE-92684b97-82
0.329
MAR-TRE-92684b97-86
0.329
MAR-TRE-9d18ae8c-48
0.329
MAR-TRE-e82e6c98-11
0.329
MAR-TRE-66ac689e-93
0.329
MAR-TRE-4f781e27-14
0.329
MAR-TRE-8190bb11-59
0.329
MAR-TRE-a9136c7b-45
0.326
MAR-TRE-9d18ae8c-11
0.326
MAR-TRE-799db12b-79
0.325
MAR-TRE-8190bb11-10
0.325
MAR-TRE-a9136c7b-28
0.325
MAR-TRE-4f781e27-87
0.325
MAR-TRE-9d18ae8c-64
0.325
MAR-TRE-9d18ae8c-21
0.325
MAR-TRE-799db12b-95
0.324
MAR-TRE-8190bb11-24
0.324
MAR-TRE-66ac689e-54
0.322
MAR-TRE-799db12b-3
0.321
MAR-TRE-799db12b-33
0.321
MAR-TRE-8190bb11-34
0.321
MAR-TRE-799db12b-24
0.321
MAR-TRE-92684b97-67
0.321
MAR-TRE-8190bb11-4
0.321
MAR-TRE-9d18ae8c-18
0.321
MAR-TRE-9d18ae8c-54
0.321
MAR-TRE-92684b97-64
0.321
MAR-TRE-799db12b-39
0.321
MAR-TRE-66ac689e-71
0.321
MAR-TRE-9d18ae8c-47
0.321
MAR-TRE-8190bb11-72
0.321
MAR-TRE-c317dd82-82
0.321
MAR-TRE-92684b97-63
0.320
MAR-TRE-9d18ae8c-49
0.318
MAR-TRE-8190bb11-80
0.318
MAR-TRE-9d18ae8c-36
0.318
MAR-TRE-9d18ae8c-52
0.318
MAR-TRE-9d18ae8c-30
0.318
MAR-TRE-66ac689e-33
0.318
MAR-TRE-799db12b-70
0.317