Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12)c1cncnc1 |
MW: | 414.91 |
Fraction sp3: | 0.0 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 106.32 |
cLogP: | 1.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
α-Halogen substituted N-heterocycles
Activated haloaromatics
Filter9_metal
aryl bromide
Hetero_hetero
MAR-TRE-a9136c7b-68
0.630
MAR-TRE-8190bb11-78
0.436
MAR-TRE-4f781e27-87
0.410
MAR-TRE-8190bb11-32
0.410
MAR-TRE-8190bb11-60
0.405
MAR-TRE-4f781e27-46
0.403
MAR-TRE-a9136c7b-87
0.398
MAR-TRE-be9ff7d2-31
0.397
MAR-TRE-92684b97-60
0.397
MAR-TRE-8190bb11-21
0.395
MAR-TRE-c317dd82-84
0.395
MAR-TRE-66ac689e-16
0.395
MAR-TRE-a9136c7b-41
0.393
MAR-TRE-4f781e27-62
0.392
MAR-TRE-8190bb11-3
0.390
MAR-TRE-4f781e27-17
0.388
MAR-TRE-8190bb11-53
0.388
MAR-TRE-92684b97-21
0.385
MAR-TRE-4f781e27-95
0.380
MAR-TRE-8190bb11-84
0.378
MAR-TRE-92684b97-34
0.378
MAR-TRE-e82e6c98-63
0.377
MAR-TRE-8190bb11-63
0.376
MAR-TRE-92684b97-59
0.375
MAR-TRE-8190bb11-45
0.373
MAR-TRE-c317dd82-1
0.373
MAR-TRE-4f781e27-90
0.373
MAR-TRE-8190bb11-77
0.373
MAR-TRE-be9ff7d2-23
0.370
MAR-TRE-66ac689e-32
0.370
MAR-TRE-8190bb11-1
0.370
MAR-TRE-92684b97-9
0.370
MAR-TRE-799db12b-5
0.369
MAR-TRE-c317dd82-36
0.369
MAR-TRE-66ac689e-6
0.369
MAR-TRE-9d18ae8c-47
0.369
MAR-TRE-799db12b-53
0.369
MAR-TRE-4f781e27-3
0.368
MAR-TRE-66ac689e-13
0.366
MAR-TRE-a9136c7b-3
0.366
MAR-TRE-be9ff7d2-13
0.366
MAR-TRE-8190bb11-37
0.366
MAR-TRE-8190bb11-55
0.366
MAR-TRE-92684b97-65
0.365
MAR-TRE-799db12b-77
0.365
MAR-TRE-a9136c7b-75
0.362
MAR-TRE-92684b97-24
0.361
MAR-TRE-c317dd82-100
0.361
MAR-TRE-a9136c7b-15
0.361
MAR-TRE-a9136c7b-61
0.360
MAR-TRE-799db12b-30
0.360
MAR-TRE-a9136c7b-40
0.358
MAR-TRE-9d18ae8c-100
0.357
MAR-TRE-be9ff7d2-45
0.357
MAR-TRE-9d18ae8c-77
0.356
MAR-TRE-a9136c7b-92
0.354
MAR-TRE-e82e6c98-45
0.354
MAR-TRE-9d18ae8c-63
0.354
MAR-TRE-92684b97-48
0.354
MAR-TRE-66ac689e-63
0.353
MAR-TRE-92684b97-58
0.353
MAR-TRE-8190bb11-94
0.352
MAR-TRE-9d18ae8c-82
0.352
MAR-TRE-c317dd82-43
0.350
MAR-TRE-92684b97-13
0.349
MAR-TRE-a9136c7b-60
0.349
MAR-TRE-799db12b-81
0.348
MAR-TRE-66ac689e-65
0.348
MAR-TRE-4f781e27-97
0.348
MAR-TRE-92684b97-23
0.348
MAR-TRE-799db12b-6
0.348
MAR-TRE-4f781e27-10
0.348
MAR-TRE-be9ff7d2-63
0.346
MAR-TRE-8190bb11-44
0.346
MAR-TRE-a9136c7b-39
0.346
MAR-TRE-66ac689e-39
0.345
MAR-TRE-799db12b-10
0.345
MAR-TRE-8190bb11-15
0.345
MAR-TRE-92684b97-69
0.345
MAR-TRE-a9136c7b-90
0.345
MAR-TRE-8190bb11-87
0.345
MAR-TRE-4f781e27-30
0.345
MAR-TRE-8190bb11-29
0.341
MAR-TRE-a9136c7b-20
0.341
MAR-TRE-8190bb11-57
0.341
MAR-TRE-92684b97-40
0.341
MAR-TRE-be9ff7d2-58
0.341
MAR-TRE-8190bb11-12
0.341
MAR-TRE-be9ff7d2-27
0.341
MAR-TRE-799db12b-42
0.341
MAR-TRE-a9136c7b-56
0.337
MAR-TRE-e82e6c98-89
0.337
MAR-TRE-4f781e27-42
0.337
MAR-TRE-a9136c7b-43
0.337
MAR-TRE-66ac689e-50
0.337
MAR-TRE-92684b97-94
0.337
MAR-TRE-a9136c7b-79
0.337
MAR-TRE-c317dd82-79
0.337
MAR-TRE-9d18ae8c-44
0.333
MAR-TRE-c317dd82-28
0.333