Molecular Properties | |
SMILES: | O=C1CCCc2cc(Br)c(S(=O)(=O)NC(=O)c3cncnc3)cc2N1 |
MW: | 423.98 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 118.12 |
cLogP: | 1.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Filter9_metal
aryl bromide
Dye 22
Hetero_hetero
MAR-TRE-4f781e27-66
0.605
MAR-TRE-8190bb11-66
0.543
MAR-TRE-92684b97-94
0.482
MAR-TRE-799db12b-83
0.476
MAR-TRE-8190bb11-77
0.475
MAR-TRE-a9136c7b-92
0.474
MAR-TRE-4f781e27-17
0.456
MAR-TRE-9d18ae8c-75
0.440
MAR-TRE-9d18ae8c-56
0.424
MAR-TRE-4f781e27-3
0.414
MAR-TRE-c317dd82-79
0.411
MAR-TRE-92684b97-30
0.409
MAR-TRE-92684b97-42
0.402
MAR-TRE-8190bb11-78
0.398
MAR-TRE-a9136c7b-60
0.395
MAR-TRE-c317dd82-100
0.393
MAR-TRE-799db12b-10
0.393
MAR-TRE-92684b97-34
0.393
MAR-TRE-a9136c7b-90
0.391
MAR-TRE-66ac689e-78
0.391
MAR-TRE-8190bb11-45
0.388
MAR-TRE-8190bb11-12
0.388
MAR-TRE-8190bb11-53
0.386
MAR-TRE-4f781e27-63
0.384
MAR-TRE-92684b97-13
0.381
MAR-TRE-be9ff7d2-13
0.381
MAR-TRE-799db12b-77
0.379
MAR-TRE-92684b97-60
0.378
MAR-TRE-4f781e27-72
0.378
MAR-TRE-92684b97-23
0.378
MAR-TRE-be9ff7d2-4
0.378
MAR-TRE-4f781e27-97
0.378
MAR-TRE-4f781e27-30
0.375
MAR-TRE-92684b97-33
0.374
MAR-TRE-92684b97-40
0.373
MAR-TRE-a9136c7b-40
0.373
MAR-TRE-8190bb11-57
0.373
MAR-TRE-4f781e27-62
0.373
MAR-TRE-4f781e27-87
0.373
MAR-TRE-4f781e27-54
0.372
MAR-TRE-e82e6c98-90
0.371
MAR-TRE-8190bb11-38
0.371
MAR-TRE-92684b97-48
0.369
MAR-TRE-66ac689e-63
0.368
MAR-TRE-4f781e27-89
0.367
MAR-TRE-92684b97-21
0.366
MAR-TRE-4f781e27-46
0.366
MAR-TRE-8190bb11-19
0.363
MAR-TRE-4f781e27-95
0.361
MAR-TRE-92684b97-69
0.360
MAR-TRE-8190bb11-84
0.360
MAR-TRE-a9136c7b-61
0.360
MAR-TRE-4f781e27-52
0.359
MAR-TRE-e82e6c98-63
0.358
MAR-TRE-a9136c7b-20
0.357
MAR-TRE-4f781e27-50
0.357
MAR-TRE-9d18ae8c-100
0.356
MAR-TRE-8190bb11-3
0.356
MAR-TRE-be9ff7d2-27
0.356
MAR-TRE-8190bb11-1
0.353
MAR-TRE-92684b97-58
0.352
MAR-TRE-799db12b-5
0.352
MAR-TRE-e82e6c98-58
0.352
MAR-TRE-66ac689e-6
0.352
MAR-TRE-66ac689e-13
0.349
MAR-TRE-8190bb11-37
0.349
MAR-TRE-799db12b-88
0.348
MAR-TRE-66ac689e-44
0.348
MAR-TRE-4f781e27-92
0.348
MAR-TRE-9d18ae8c-44
0.348
MAR-TRE-4f781e27-61
0.348
MAR-TRE-a9136c7b-75
0.345
MAR-TRE-a9136c7b-39
0.345
MAR-TRE-9d18ae8c-25
0.345
MAR-TRE-66ac689e-16
0.345
MAR-TRE-8190bb11-15
0.345
MAR-TRE-9d18ae8c-70
0.344
MAR-TRE-799db12b-30
0.344
MAR-TRE-92684b97-59
0.341
MAR-TRE-8190bb11-32
0.341
MAR-TRE-8190bb11-29
0.341
MAR-TRE-be9ff7d2-58
0.341
MAR-TRE-a9136c7b-88
0.340
MAR-TRE-799db12b-42
0.340
MAR-TRE-92684b97-9
0.337
MAR-TRE-9d18ae8c-63
0.337
MAR-TRE-e82e6c98-89
0.337
MAR-TRE-8190bb11-60
0.337
MAR-TRE-be9ff7d2-23
0.337
MAR-TRE-66ac689e-32
0.337
MAR-TRE-799db12b-53
0.337
MAR-TRE-66ac689e-50
0.337
MAR-TRE-c317dd82-28
0.333
MAR-TRE-c317dd82-43
0.333
MAR-TRE-66ac689e-11
0.333
MAR-TRE-66ac689e-17
0.333
MAR-TRE-92684b97-90
0.333
MAR-TRE-8190bb11-55
0.333
MAR-TRE-799db12b-22
0.326
MAR-TRE-be9ff7d2-45
0.326