Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)(C(=O)O)c1ccc(F)cc1Br |
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
0.631
MAR-TRE-4f781e27-32
0.619
MAR-TRE-8190bb11-92
0.588
MAR-TRE-8190bb11-36
0.544
MAR-TRE-4f781e27-78
0.523
MAR-TRE-8190bb11-62
0.522
MAR-TRE-4f781e27-74
0.500
MAR-TRE-be9ff7d2-28
0.493
MAR-TRE-66ac689e-86
0.478
MAR-TRE-66ac689e-75
0.478
MAR-TRE-be9ff7d2-65
0.471
MAR-TRE-66ac689e-14
0.457
MAR-TRE-66ac689e-23
0.457
MAR-TRE-66ac689e-70
0.417
MAR-TRE-799db12b-66
0.413
MAR-TRE-799db12b-75
0.400
MAR-TRE-a9136c7b-81
0.395
MAR-TRE-799db12b-41
0.392
MAR-TRE-8190bb11-74
0.390
MAR-TRE-e82e6c98-91
0.380
MAR-TRE-92684b97-26
0.373
MAR-TRE-4f781e27-17
0.368
MAR-TRE-8190bb11-42
0.360
MAR-TRE-92684b97-91
0.358
MAR-TRE-8190bb11-57
0.355
MAR-TRE-e82e6c98-9
0.351
MAR-TRE-8190bb11-58
0.350
MAR-TRE-be9ff7d2-86
0.350
MAR-TRE-c317dd82-24
0.346
MAR-TRE-8190bb11-85
0.338
MAR-TRE-e82e6c98-39
0.338
MAR-TRE-8190bb11-29
0.338
MAR-TRE-92684b97-40
0.338
MAR-TRE-4f781e27-87
0.338
MAR-TRE-8190bb11-45
0.338
MAR-TRE-8190bb11-12
0.338
MAR-TRE-8190bb11-77
0.338
MAR-TRE-e82e6c98-95
0.337
MAR-TRE-8190bb11-54
0.333
MAR-TRE-e82e6c98-15
0.333
MAR-TRE-66ac689e-58
0.333
MAR-TRE-66ac689e-71
0.333
MAR-TRE-66ac689e-74
0.333
MAR-TRE-92684b97-63
0.333
MAR-TRE-c317dd82-82
0.333
MAR-TRE-9d18ae8c-10
0.330
MAR-TRE-799db12b-90
0.329
MAR-TRE-92684b97-46
0.329
MAR-TRE-799db12b-44
0.329
MAR-TRE-66ac689e-13
0.329
MAR-TRE-8190bb11-78
0.329
MAR-TRE-92684b97-11
0.329
MAR-TRE-92684b97-78
0.329
MAR-TRE-9d18ae8c-7
0.326
MAR-TRE-a9136c7b-33
0.325
MAR-TRE-e82e6c98-11
0.325
MAR-TRE-a9136c7b-52
0.322
MAR-TRE-a9136c7b-46
0.321
MAR-TRE-8190bb11-3
0.321
MAR-TRE-66ac689e-68
0.321
MAR-TRE-92684b97-41
0.321
MAR-TRE-8190bb11-24
0.320
MAR-TRE-66ac689e-73
0.317
MAR-TRE-8190bb11-53
0.316
MAR-TRE-a9136c7b-92
0.316
MAR-TRE-92684b97-75
0.316
MAR-TRE-66ac689e-62
0.316
MAR-TRE-a9136c7b-58
0.314
MAR-TRE-be9ff7d2-37
0.314
MAR-TRE-a9136c7b-12
0.314
MAR-TRE-799db12b-70
0.313
MAR-TRE-799db12b-77
0.313
MAR-TRE-66ac689e-95
0.312
MAR-TRE-8190bb11-37
0.312
MAR-TRE-c317dd82-55
0.312
MAR-TRE-92684b97-50
0.312
MAR-TRE-be9ff7d2-90
0.312
MAR-TRE-8190bb11-13
0.312
MAR-TRE-4f781e27-46
0.312
MAR-TRE-92684b97-66
0.312
MAR-TRE-4f781e27-85
0.312
MAR-TRE-9d18ae8c-6
0.310
MAR-TRE-9d18ae8c-56
0.310
MAR-TRE-799db12b-55
0.309
MAR-TRE-4f781e27-22
0.309
MAR-TRE-be9ff7d2-17
0.309
MAR-TRE-66ac689e-12
0.309
MAR-TRE-66ac689e-16
0.309
MAR-TRE-92684b97-34
0.309
MAR-TRE-92684b97-83
0.309
MAR-TRE-92684b97-35
0.308
MAR-TRE-92684b97-60
0.308
MAR-TRE-4f781e27-72
0.308
MAR-TRE-a9136c7b-45
0.307
MAR-TRE-9d18ae8c-43
0.307
MAR-TRE-be9ff7d2-47
0.307
MAR-TRE-799db12b-79
0.305
MAR-TRE-66ac689e-100
0.305
MAR-TRE-92684b97-15
0.305
MAR-TRE-66ac689e-81
0.305