Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)(C(=O)O)c1cc(Br)ccc1F |
MW: | 367.0 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 92.18 |
cLogP: | 2.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
MAR-TRE-c317dd82-76
0.688
MAR-TRE-8190bb11-22
0.588
MAR-TRE-4f781e27-78
0.554
MAR-TRE-4f781e27-32
0.552
MAR-TRE-4f781e27-74
0.551
MAR-TRE-be9ff7d2-28
0.521
MAR-TRE-8190bb11-62
0.507
MAR-TRE-8190bb11-36
0.507
MAR-TRE-be9ff7d2-65
0.478
MAR-TRE-66ac689e-75
0.464
MAR-TRE-66ac689e-23
0.444
MAR-TRE-66ac689e-14
0.444
MAR-TRE-66ac689e-86
0.425
MAR-TRE-8190bb11-74
0.416
MAR-TRE-66ac689e-70
0.405
MAR-TRE-a9136c7b-81
0.403
MAR-TRE-8190bb11-42
0.387
MAR-TRE-8190bb11-57
0.382
MAR-TRE-799db12b-41
0.382
MAR-TRE-799db12b-66
0.367
MAR-TRE-4f781e27-17
0.359
MAR-TRE-799db12b-75
0.357
MAR-TRE-8190bb11-78
0.354
MAR-TRE-9d18ae8c-33
0.354
MAR-TRE-66ac689e-13
0.354
MAR-TRE-92684b97-26
0.346
MAR-TRE-92684b97-40
0.346
MAR-TRE-e82e6c98-39
0.346
MAR-TRE-8190bb11-12
0.346
MAR-TRE-92684b97-63
0.342
MAR-TRE-e82e6c98-9
0.342
MAR-TRE-8190bb11-58
0.341
MAR-TRE-92684b97-64
0.341
MAR-TRE-8190bb11-37
0.338
MAR-TRE-4f781e27-43
0.338
MAR-TRE-799db12b-77
0.337
MAR-TRE-92684b97-34
0.333
MAR-TRE-92684b97-35
0.333
MAR-TRE-e82e6c98-11
0.333
MAR-TRE-8190bb11-45
0.329
MAR-TRE-8190bb11-29
0.329
MAR-TRE-92684b97-80
0.329
MAR-TRE-a9136c7b-20
0.329
MAR-TRE-c317dd82-63
0.329
MAR-TRE-8190bb11-85
0.329
MAR-TRE-799db12b-61
0.325
MAR-TRE-8190bb11-72
0.325
MAR-TRE-c317dd82-82
0.325
MAR-TRE-8190bb11-1
0.325
MAR-TRE-e82e6c98-15
0.325
MAR-TRE-799db12b-90
0.322
MAR-TRE-799db12b-44
0.321
MAR-TRE-e82e6c98-91
0.321
MAR-TRE-92684b97-31
0.321
MAR-TRE-e82e6c98-100
0.321
MAR-TRE-92684b97-11
0.321
MAR-TRE-c317dd82-55
0.321
MAR-TRE-92684b97-66
0.321
MAR-TRE-4f781e27-46
0.321
MAR-TRE-92684b97-78
0.320
MAR-TRE-8190bb11-89
0.318
MAR-TRE-799db12b-55
0.317
MAR-TRE-c317dd82-35
0.317
MAR-TRE-4f781e27-72
0.316
MAR-TRE-4f781e27-73
0.316
MAR-TRE-4f781e27-95
0.316
MAR-TRE-be9ff7d2-47
0.316
MAR-TRE-4f781e27-82
0.315
MAR-TRE-9d18ae8c-43
0.315
MAR-TRE-799db12b-7
0.314
MAR-TRE-4f781e27-15
0.313
MAR-TRE-4f781e27-45
0.313
MAR-TRE-66ac689e-81
0.313
MAR-TRE-799db12b-79
0.313
MAR-TRE-4f781e27-87
0.312
MAR-TRE-8190bb11-27
0.312
MAR-TRE-8190bb11-24
0.312
MAR-TRE-be9ff7d2-67
0.311
MAR-TRE-9d18ae8c-96
0.311
MAR-TRE-92684b97-67
0.310
MAR-TRE-92684b97-19
0.310
MAR-TRE-66ac689e-48
0.310
MAR-TRE-66ac689e-63
0.310
MAR-TRE-66ac689e-73
0.310
MAR-TRE-be9ff7d2-61
0.310
MAR-TRE-e82e6c98-20
0.309
MAR-TRE-92684b97-48
0.309
MAR-TRE-a9136c7b-92
0.309
MAR-TRE-799db12b-96
0.309
MAR-TRE-8190bb11-53
0.309
MAR-TRE-8190bb11-54
0.309
MAR-TRE-e82e6c98-68
0.308
MAR-TRE-9d18ae8c-49
0.308
MAR-TRE-be9ff7d2-97
0.306
MAR-TRE-9d18ae8c-53
0.306
MAR-TRE-8190bb11-95
0.306
MAR-TRE-c317dd82-24
0.306
MAR-TRE-799db12b-70
0.306
MAR-TRE-a9136c7b-36
0.305
MAR-TRE-be9ff7d2-13
0.305