Molecular Properties | |
SMILES: | O=C(NC(C(=O)O)c1cccc(Br)c1)c1cncnc1 |
MW: | 334.99 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 92.18 |
cLogP: | 1.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
MAR-TRE-4f781e27-45
0.717
MAR-TRE-8190bb11-71
0.672
MAR-TRE-92684b97-17
0.661
MAR-TRE-8190bb11-28
0.661
MAR-TRE-8190bb11-59
0.661
MAR-TRE-66ac689e-93
0.619
MAR-TRE-8190bb11-10
0.609
MAR-TRE-8190bb11-54
0.587
MAR-TRE-92684b97-80
0.571
MAR-TRE-799db12b-96
0.562
MAR-TRE-c317dd82-41
0.559
MAR-TRE-9d18ae8c-28
0.545
MAR-TRE-799db12b-61
0.538
MAR-TRE-799db12b-79
0.537
MAR-TRE-799db12b-95
0.532
MAR-TRE-4f781e27-71
0.529
MAR-TRE-9d18ae8c-64
0.523
MAR-TRE-92684b97-50
0.516
MAR-TRE-4f781e27-14
0.500
MAR-TRE-66ac689e-84
0.486
MAR-TRE-8190bb11-91
0.484
MAR-TRE-799db12b-23
0.471
MAR-TRE-92684b97-27
0.470
MAR-TRE-a9136c7b-66
0.456
MAR-TRE-e82e6c98-30
0.455
MAR-TRE-9d18ae8c-8
0.444
MAR-TRE-66ac689e-71
0.444
MAR-TRE-4f781e27-74
0.443
MAR-TRE-8190bb11-48
0.441
MAR-TRE-799db12b-55
0.437
MAR-TRE-66ac689e-41
0.429
MAR-TRE-be9ff7d2-86
0.425
MAR-TRE-66ac689e-27
0.425
MAR-TRE-4f781e27-86
0.423
MAR-TRE-a9136c7b-36
0.423
MAR-TRE-8190bb11-25
0.419
MAR-TRE-92684b97-86
0.417
MAR-TRE-66ac689e-72
0.417
MAR-TRE-799db12b-78
0.416
MAR-TRE-92684b97-63
0.412
MAR-TRE-66ac689e-81
0.411
MAR-TRE-92684b97-77
0.408
MAR-TRE-9d18ae8c-88
0.408
MAR-TRE-8190bb11-26
0.408
MAR-TRE-9d18ae8c-60
0.408
MAR-TRE-8190bb11-14
0.408
MAR-TRE-66ac689e-61
0.408
MAR-TRE-799db12b-73
0.405
MAR-TRE-66ac689e-22
0.405
MAR-TRE-4f781e27-43
0.403
MAR-TRE-8190bb11-20
0.400
MAR-TRE-a9136c7b-70
0.400
MAR-TRE-4f781e27-73
0.400
MAR-TRE-66ac689e-97
0.400
MAR-TRE-8190bb11-90
0.397
MAR-TRE-4f781e27-56
0.395
MAR-TRE-9d18ae8c-80
0.395
MAR-TRE-66ac689e-92
0.395
MAR-TRE-8190bb11-11
0.394
MAR-TRE-9d18ae8c-85
0.394
MAR-TRE-9d18ae8c-9
0.392
MAR-TRE-8190bb11-56
0.392
MAR-TRE-66ac689e-68
0.392
MAR-TRE-92684b97-85
0.392
MAR-TRE-8190bb11-72
0.389
MAR-TRE-92684b97-32
0.388
MAR-TRE-92684b97-18
0.385
MAR-TRE-9d18ae8c-4
0.385
MAR-TRE-4f781e27-40
0.384
MAR-TRE-9d18ae8c-67
0.384
MAR-TRE-9d18ae8c-24
0.383
MAR-TRE-9d18ae8c-97
0.378
BAR-COM-0f94fc3d-36
0.378
MAR-TRE-e82e6c98-70
0.377
MAR-TRE-8190bb11-89
0.377
MAR-TRE-4f781e27-68
0.377
MAR-TRE-4f781e27-4
0.377
MAR-TRE-92684b97-98
0.375
MAR-TRE-9d18ae8c-1
0.375
MAR-TRE-92684b97-51
0.375
MAR-TRE-92684b97-99
0.375
MAR-TRE-799db12b-32
0.373
MAR-TRE-a9136c7b-91
0.373
MAR-TRE-66ac689e-45
0.372
MAR-TRE-9d18ae8c-59
0.371
MAR-TRE-e82e6c98-43
0.371
MAR-TRE-8190bb11-5
0.371
MAR-TRE-92684b97-1
0.370
MAR-TRE-4f781e27-24
0.370
MAR-TRE-4f781e27-91
0.370
MAR-TRE-9d18ae8c-37
0.368
MAR-TRE-66ac689e-48
0.368
MAR-TRE-9d18ae8c-99
0.368
MAR-TRE-9d18ae8c-57
0.368
MAR-TRE-9d18ae8c-17
0.367
MAR-TRE-92684b97-56
0.366
MAR-TRE-799db12b-91
0.366
MAR-TRE-9d18ae8c-19
0.366
MAR-TRE-9d18ae8c-33
0.365
MAR-TRE-4f781e27-51
0.364