Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)(C(=O)O)c1ccc(Br)cc1 |
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-66ac689e-75
0.736
MAR-TRE-66ac689e-14
0.696
MAR-TRE-66ac689e-23
0.696
MAR-TRE-4f781e27-74
0.633
MAR-TRE-be9ff7d2-65
0.576
MAR-TRE-8190bb11-74
0.562
MAR-TRE-4f781e27-32
0.557
MAR-TRE-8190bb11-36
0.556
MAR-TRE-8190bb11-92
0.554
MAR-TRE-8190bb11-22
0.523
MAR-TRE-66ac689e-86
0.508
MAR-TRE-66ac689e-70
0.508
MAR-TRE-8190bb11-62
0.508
MAR-TRE-799db12b-41
0.500
MAR-TRE-c317dd82-76
0.478
MAR-TRE-a9136c7b-81
0.456
MAR-TRE-92684b97-26
0.433
MAR-TRE-799db12b-66
0.414
MAR-TRE-e82e6c98-9
0.406
MAR-TRE-be9ff7d2-28
0.397
MAR-TRE-8190bb11-85
0.394
MAR-TRE-92684b97-63
0.388
MAR-TRE-8190bb11-72
0.386
MAR-TRE-4f781e27-73
0.377
MAR-TRE-e82e6c98-11
0.375
MAR-TRE-9d18ae8c-21
0.371
MAR-TRE-e82e6c98-15
0.368
MAR-TRE-4f781e27-17
0.366
MAR-TRE-8190bb11-58
0.365
MAR-TRE-799db12b-75
0.364
MAR-TRE-9d18ae8c-33
0.361
MAR-TRE-8190bb11-78
0.361
MAR-TRE-799db12b-90
0.359
MAR-TRE-8190bb11-89
0.355
MAR-TRE-9d18ae8c-85
0.352
MAR-TRE-92684b97-40
0.352
MAR-TRE-e82e6c98-39
0.352
MAR-TRE-e82e6c98-89
0.347
MAR-TRE-c317dd82-82
0.347
MAR-TRE-92684b97-78
0.343
MAR-TRE-4f781e27-46
0.343
MAR-TRE-799db12b-70
0.342
MAR-TRE-9d18ae8c-51
0.342
MAR-TRE-92684b97-35
0.338
MAR-TRE-92684b97-83
0.338
MAR-TRE-9d18ae8c-40
0.338
MAR-TRE-92684b97-34
0.338
MAR-TRE-a9136c7b-45
0.333
MAR-TRE-4f781e27-87
0.333
MAR-TRE-8190bb11-24
0.333
MAR-TRE-8190bb11-57
0.333
MAR-TRE-66ac689e-71
0.329
MAR-TRE-8190bb11-53
0.329
MAR-TRE-799db12b-44
0.325
MAR-TRE-9d18ae8c-42
0.324
MAR-TRE-be9ff7d2-13
0.324
MAR-TRE-4f781e27-43
0.324
MAR-TRE-92684b97-11
0.324
MAR-TRE-92684b97-66
0.324
MAR-TRE-8190bb11-13
0.324
MAR-TRE-92684b97-50
0.324
MAR-TRE-92684b97-91
0.321
MAR-TRE-4f781e27-56
0.321
MAR-TRE-8190bb11-42
0.319
MAR-TRE-4f781e27-95
0.319
MAR-TRE-be9ff7d2-47
0.319
MAR-TRE-66ac689e-81
0.316
MAR-TRE-8190bb11-49
0.316
MAR-TRE-8190bb11-77
0.316
MAR-TRE-4f781e27-45
0.316
MAR-TRE-8190bb11-45
0.316
MAR-TRE-92684b97-54
0.316
MAR-TRE-9d18ae8c-73
0.315
MAR-TRE-9d18ae8c-78
0.315
MAR-TRE-be9ff7d2-58
0.315
MAR-TRE-4f781e27-25
0.315
MAR-TRE-8190bb11-32
0.315
MAR-TRE-4f781e27-99
0.315
MAR-TRE-92684b97-51
0.315
MAR-TRE-e82e6c98-63
0.314
MAR-TRE-e82e6c98-70
0.314
MAR-TRE-9d18ae8c-96
0.313
MAR-TRE-92684b97-67
0.312
MAR-TRE-799db12b-5
0.312
MAR-TRE-66ac689e-48
0.312
MAR-TRE-66ac689e-73
0.312
MAR-TRE-a9136c7b-92
0.311
MAR-TRE-8190bb11-54
0.311
MAR-TRE-92684b97-48
0.311
MAR-TRE-9d18ae8c-59
0.310
MAR-TRE-9d18ae8c-95
0.310
MAR-TRE-e82e6c98-30
0.310
MAR-TRE-e82e6c98-68
0.310
MAR-TRE-c317dd82-21
0.309
MAR-TRE-8190bb11-52
0.309
MAR-TRE-92684b97-47
0.308
MAR-TRE-be9ff7d2-97
0.308
MAR-TRE-a9136c7b-60
0.308
MAR-TRE-799db12b-77
0.308
MAR-TRE-4f781e27-37
0.308