Molecular Properties | |
SMILES: | Cn1ccnc1C(NC(=O)c1cncnc1)c1ccc(Br)cc1 |
MW: | 371.04 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 72.7 |
cLogP: | 2.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
MAR-TRE-66ac689e-85
0.778
MAR-TRE-66ac689e-56
0.754
MAR-TRE-799db12b-28
0.731
MAR-TRE-a9136c7b-35
0.648
MAR-TRE-799db12b-19
0.592
MAR-TRE-a9136c7b-52
0.545
MAR-TRE-92684b97-63
0.486
MAR-TRE-8190bb11-72
0.459
MAR-TRE-4f781e27-73
0.452
MAR-TRE-66ac689e-100
0.442
MAR-TRE-be9ff7d2-47
0.437
MAR-TRE-66ac689e-82
0.430
MAR-TRE-9d18ae8c-51
0.427
MAR-TRE-8190bb11-93
0.427
MAR-TRE-66ac689e-58
0.425
MAR-TRE-9d18ae8c-67
0.416
MAR-TRE-9d18ae8c-41
0.412
MAR-TRE-66ac689e-42
0.410
MAR-TRE-a9136c7b-77
0.407
MAR-TRE-a9136c7b-93
0.407
MAR-TRE-92684b97-15
0.405
MAR-TRE-9d18ae8c-26
0.395
MAR-TRE-9d18ae8c-1
0.388
MAR-TRE-4f781e27-45
0.388
MAR-TRE-92684b97-77
0.385
MAR-TRE-9d18ae8c-99
0.383
MAR-TRE-9d18ae8c-37
0.383
MAR-TRE-66ac689e-48
0.383
MAR-TRE-66ac689e-71
0.383
MAR-TRE-9d18ae8c-4
0.381
MAR-TRE-66ac689e-94
0.378
MAR-TRE-4f781e27-51
0.378
MAR-TRE-92684b97-35
0.377
MAR-TRE-9d18ae8c-22
0.376
MAR-TRE-92684b97-16
0.376
MAR-TRE-799db12b-58
0.376
MAR-TRE-799db12b-78
0.376
MAR-TRE-e82e6c98-31
0.373
MAR-TRE-66ac689e-64
0.373
MAR-TRE-799db12b-31
0.373
MAR-TRE-4f781e27-68
0.373
MAR-TRE-9d18ae8c-87
0.372
MAR-TRE-92684b97-80
0.372
MAR-TRE-66ac689e-81
0.370
MAR-TRE-9d18ae8c-59
0.368
MAR-TRE-e82e6c98-30
0.368
MAR-TRE-92684b97-1
0.368
MAR-TRE-9d18ae8c-92
0.368
MAR-TRE-8190bb11-54
0.367
MAR-TRE-92684b97-84
0.365
MAR-TRE-92684b97-18
0.365
MAR-TRE-8190bb11-67
0.365
MAR-TRE-c317dd82-24
0.361
MAR-TRE-a9136c7b-70
0.361
MAR-TRE-4f781e27-20
0.360
MAR-TRE-92684b97-12
0.360
MAR-TRE-a9136c7b-26
0.360
MAR-TRE-4f781e27-39
0.359
MAR-TRE-4f781e27-78
0.355
MAR-TRE-9d18ae8c-85
0.354
MAR-TRE-799db12b-79
0.354
MAR-TRE-66ac689e-45
0.353
MAR-TRE-4f781e27-59
0.353
MAR-TRE-4f781e27-71
0.353
MAR-TRE-92684b97-32
0.352
MAR-TRE-66ac689e-62
0.351
MAR-TRE-8190bb11-5
0.351
MAR-TRE-4f781e27-70
0.351
MAR-TRE-799db12b-61
0.350
MAR-TRE-799db12b-96
0.350
MAR-TRE-4f781e27-24
0.350
MAR-TRE-66ac689e-84
0.349
MAR-TRE-c317dd82-97
0.349
MAR-TRE-92684b97-56
0.346
MAR-TRE-e82e6c98-100
0.346
MAR-TRE-66ac689e-95
0.346
MAR-TRE-66ac689e-57
0.342
MAR-TRE-8190bb11-28
0.342
MAR-TRE-8190bb11-59
0.342
MAR-TRE-4f781e27-14
0.341
MAR-TRE-799db12b-94
0.341
MAR-TRE-799db12b-55
0.341
MAR-TRE-66ac689e-79
0.341
MAR-TRE-66ac689e-93
0.341
MAR-TRE-799db12b-99
0.341
MAR-TRE-e82e6c98-70
0.338
MAR-TRE-9d18ae8c-21
0.338
MAR-TRE-8190bb11-11
0.338
MAR-TRE-8190bb11-47
0.338
MAR-TRE-be9ff7d2-6
0.337
MAR-TRE-799db12b-32
0.337
MAR-TRE-8190bb11-10
0.337
MAR-TRE-8190bb11-8
0.337
MAR-TRE-a9136c7b-13
0.337
MAR-TRE-66ac689e-18
0.333
MAR-TRE-4f781e27-9
0.333
MAR-TRE-c317dd82-61
0.333
MAR-TRE-799db12b-100
0.333
MAR-TRE-66ac689e-3
0.333
MAR-TRE-8190bb11-97
0.333