Molecular Properties | |
SMILES: | CC(CO)C(NC(=O)c1cncnc1)c1ccc(Br)cc1 |
MW: | 349.04 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 75.11 |
cLogP: | 2.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
MAR-TRE-4f781e27-73
0.538
MAR-TRE-92684b97-63
0.508
MAR-TRE-9d18ae8c-80
0.459
MAR-TRE-8190bb11-89
0.459
MAR-TRE-8190bb11-47
0.443
MAR-TRE-9d18ae8c-51
0.442
MAR-TRE-66ac689e-57
0.429
MAR-TRE-9d18ae8c-59
0.420
MAR-TRE-8190bb11-5
0.420
MAR-TRE-799db12b-78
0.405
MAR-TRE-66ac689e-62
0.400
MAR-TRE-4f781e27-45
0.400
MAR-TRE-66ac689e-71
0.395
MAR-TRE-92684b97-56
0.394
MAR-TRE-a9136c7b-74
0.392
MAR-TRE-799db12b-47
0.392
MAR-TRE-92684b97-35
0.389
MAR-TRE-66ac689e-49
0.389
MAR-TRE-799db12b-94
0.387
MAR-TRE-66ac689e-79
0.387
MAR-TRE-4f781e27-78
0.386
MAR-TRE-9d18ae8c-21
0.384
MAR-TRE-9d18ae8c-85
0.384
MAR-TRE-9d18ae8c-87
0.384
MAR-TRE-799db12b-32
0.382
MAR-TRE-a9136c7b-59
0.380
MAR-TRE-4f781e27-71
0.380
MAR-TRE-8190bb11-54
0.378
MAR-TRE-66ac689e-18
0.378
MAR-TRE-66ac689e-3
0.378
MAR-TRE-4f781e27-91
0.378
MAR-TRE-799db12b-100
0.377
MAR-TRE-c317dd82-96
0.375
MAR-TRE-92684b97-50
0.375
MAR-TRE-92684b97-87
0.375
MAR-TRE-66ac689e-95
0.373
MAR-TRE-92684b97-71
0.373
MAR-TRE-a9136c7b-49
0.372
MAR-TRE-a9136c7b-70
0.372
MAR-TRE-9d18ae8c-40
0.368
MAR-TRE-66ac689e-42
0.368
MAR-TRE-66ac689e-80
0.368
MAR-TRE-799db12b-46
0.368
MAR-TRE-a9136c7b-67
0.367
MAR-TRE-e82e6c98-70
0.366
MAR-TRE-92684b97-80
0.365
MAR-TRE-8190bb11-11
0.365
MAR-TRE-8190bb11-74
0.364
MAR-TRE-be9ff7d2-68
0.364
MAR-TRE-66ac689e-68
0.364
MAR-TRE-66ac689e-81
0.364
MAR-TRE-799db12b-79
0.364
MAR-TRE-92684b97-85
0.364
MAR-TRE-66ac689e-58
0.361
MAR-TRE-4f781e27-70
0.361
MAR-TRE-4f781e27-26
0.360
MAR-TRE-8190bb11-97
0.360
MAR-TRE-4f781e27-29
0.360
MAR-TRE-66ac689e-48
0.359
MAR-TRE-66ac689e-84
0.359
MAR-TRE-799db12b-50
0.359
MAR-TRE-e82e6c98-46
0.358
MAR-TRE-799db12b-82
0.358
MAR-TRE-c317dd82-48
0.357
MAR-TRE-be9ff7d2-48
0.356
MAR-TRE-92684b97-27
0.356
MAR-TRE-4f781e27-86
0.355
MAR-TRE-799db12b-80
0.354
MAR-TRE-799db12b-15
0.354
MAR-TRE-be9ff7d2-47
0.352
MAR-TRE-8190bb11-48
0.351
MAR-TRE-8190bb11-59
0.351
MAR-TRE-92684b97-17
0.351
MAR-TRE-4f781e27-39
0.351
MAR-TRE-4f781e27-14
0.351
MAR-TRE-c317dd82-94
0.351
MAR-TRE-a9136c7b-33
0.351
MAR-TRE-799db12b-55
0.351
MAR-TRE-66ac689e-72
0.351
MAR-TRE-92684b97-86
0.351
MAR-TRE-799db12b-31
0.350
MAR-TRE-799db12b-99
0.349
MAR-TRE-8190bb11-91
0.347
MAR-TRE-799db12b-95
0.347
MAR-TRE-92684b97-99
0.347
MAR-TRE-9d18ae8c-64
0.347
MAR-TRE-e82e6c98-13
0.346
MAR-TRE-799db12b-63
0.346
MAR-TRE-66ac689e-100
0.346
MAR-TRE-4f781e27-59
0.346
MAR-TRE-a9136c7b-62
0.346
MAR-TRE-9d18ae8c-60
0.346
MAR-TRE-c317dd82-41
0.343
MAR-TRE-c317dd82-21
0.343
MAR-TRE-e82e6c98-30
0.342
MAR-TRE-e82e6c98-43
0.342
MAR-TRE-66ac689e-41
0.342
MAR-TRE-e82e6c98-71
0.342
MAR-TRE-799db12b-61
0.342
MAR-TRE-799db12b-96
0.342