Molecular Properties | |
SMILES: | COC(=O)C(NC(=O)c1cncnc1)c1ccccc1Br |
MW: | 349.01 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 81.18 |
cLogP: | 1.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
Ester
MAR-TRE-92684b97-50
0.695
MAR-TRE-4f781e27-40
0.651
MAR-TRE-9d18ae8c-17
0.563
MAR-TRE-a9136c7b-91
0.559
MAR-TRE-92684b97-99
0.545
MAR-TRE-4f781e27-91
0.537
MAR-TRE-4f781e27-45
0.514
MAR-TRE-66ac689e-71
0.507
MAR-TRE-9d18ae8c-60
0.486
MAR-TRE-8190bb11-91
0.485
MAR-TRE-4f781e27-14
0.479
MAR-TRE-9d18ae8c-85
0.478
MAR-TRE-92684b97-27
0.471
MAR-TRE-9d18ae8c-64
0.457
MAR-TRE-799db12b-78
0.455
MAR-TRE-66ac689e-52
0.443
MAR-TRE-a9136c7b-70
0.440
MAR-TRE-66ac689e-93
0.438
MAR-TRE-799db12b-23
0.431
MAR-TRE-66ac689e-84
0.427
MAR-TRE-be9ff7d2-86
0.427
MAR-TRE-9d18ae8c-99
0.427
MAR-TRE-799db12b-85
0.425
MAR-TRE-92684b97-35
0.423
MAR-TRE-e82e6c98-30
0.414
MAR-TRE-8190bb11-10
0.413
MAR-TRE-c317dd82-48
0.412
MAR-TRE-8190bb11-54
0.411
MAR-TRE-9d18ae8c-8
0.408
MAR-TRE-92684b97-84
0.405
MAR-TRE-4f781e27-32
0.403
MAR-TRE-4f781e27-9
0.402
MAR-TRE-799db12b-95
0.400
MAR-TRE-9d18ae8c-28
0.400
MAR-TRE-66ac689e-36
0.400
MAR-TRE-a9136c7b-66
0.397
MAR-TRE-92684b97-80
0.397
MAR-TRE-4f781e27-5
0.395
MAR-TRE-799db12b-79
0.395
MAR-TRE-4f781e27-71
0.392
MAR-TRE-92684b97-77
0.392
MAR-TRE-8190bb11-71
0.389
MAR-TRE-8190bb11-70
0.388
MAR-TRE-66ac689e-97
0.385
MAR-TRE-8190bb11-25
0.385
MAR-TRE-be9ff7d2-97
0.385
MAR-TRE-8190bb11-28
0.384
MAR-TRE-8190bb11-59
0.384
MAR-TRE-92684b97-17
0.384
MAR-TRE-9d18ae8c-97
0.382
MAR-TRE-92684b97-2
0.378
MAR-TRE-92684b97-68
0.378
MAR-TRE-c317dd82-41
0.377
MAR-TRE-a9136c7b-98
0.377
MAR-TRE-8190bb11-14
0.375
MAR-TRE-8190bb11-26
0.375
MAR-TRE-4f781e27-27
0.373
MAR-TRE-92684b97-32
0.373
MAR-TRE-4f781e27-19
0.373
MAR-TRE-e82e6c98-71
0.373
MAR-TRE-4f781e27-69
0.369
MAR-TRE-8190bb11-98
0.368
MAR-TRE-92684b97-71
0.368
MAR-TRE-a9136c7b-36
0.368
MAR-TRE-4f781e27-51
0.367
MAR-TRE-be9ff7d2-64
0.367
MAR-TRE-66ac689e-57
0.365
MAR-TRE-799db12b-55
0.364
MAR-TRE-92684b97-86
0.364
MAR-TRE-9d18ae8c-25
0.364
MAR-TRE-799db12b-94
0.364
MAR-TRE-4f781e27-56
0.362
MAR-TRE-8190bb11-11
0.360
MAR-TRE-92684b97-51
0.360
MAR-TRE-92684b97-85
0.359
MAR-TRE-799db12b-32
0.359
MAR-TRE-66ac689e-61
0.358
MAR-TRE-92684b97-93
0.357
MAR-TRE-4f781e27-26
0.356
MAR-TRE-92684b97-63
0.356
MAR-TRE-9d18ae8c-72
0.356
MAR-TRE-799db12b-61
0.355
MAR-TRE-799db12b-96
0.355
MAR-TRE-66ac689e-18
0.355
MAR-TRE-8190bb11-72
0.355
MAR-TRE-4f781e27-29
0.355
MAR-TRE-9d18ae8c-88
0.355
MAR-TRE-be9ff7d2-3
0.355
MAR-TRE-799db12b-50
0.354
MAR-TRE-9d18ae8c-37
0.354
MAR-TRE-e82e6c98-34
0.354
MAR-TRE-8190bb11-67
0.354
MAR-TRE-9d18ae8c-19
0.353
MAR-TRE-9d18ae8c-24
0.353
MAR-TRE-92684b97-56
0.351
MAR-TRE-e82e6c98-77
0.351
MAR-TRE-799db12b-47
0.351
MAR-TRE-66ac689e-95
0.351
MAR-TRE-92684b97-76
0.351
MAR-TRE-9d18ae8c-41
0.350