Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1cc(Br)cc(C(=O)O)c1F)c1cncnc1 |
MW: | 402.93 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 126.32 |
cLogP: | 1.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Filter9_metal
aryl bromide
Hetero_hetero
MAR-TRE-92684b97-34
0.646
MAR-TRE-8190bb11-12
0.565
MAR-TRE-8190bb11-57
0.529
MAR-TRE-799db12b-77
0.528
MAR-TRE-8190bb11-37
0.514
MAR-TRE-a9136c7b-40
0.507
MAR-TRE-a9136c7b-20
0.507
MAR-TRE-a9136c7b-15
0.507
MAR-TRE-4f781e27-46
0.500
MAR-TRE-4f781e27-17
0.500
MAR-TRE-92684b97-48
0.500
MAR-TRE-8190bb11-78
0.493
MAR-TRE-4f781e27-3
0.487
MAR-TRE-4f781e27-87
0.486
MAR-TRE-4f781e27-72
0.471
MAR-TRE-e82e6c98-63
0.471
MAR-TRE-8190bb11-32
0.465
MAR-TRE-92684b97-40
0.465
MAR-TRE-8190bb11-3
0.459
MAR-TRE-4f781e27-15
0.459
MAR-TRE-66ac689e-32
0.458
MAR-TRE-e82e6c98-45
0.458
MAR-TRE-a9136c7b-92
0.458
MAR-TRE-8190bb11-53
0.458
MAR-TRE-799db12b-5
0.453
MAR-TRE-a9136c7b-75
0.451
MAR-TRE-a9136c7b-60
0.447
MAR-TRE-799db12b-10
0.446
MAR-TRE-c317dd82-100
0.446
MAR-TRE-8190bb11-15
0.446
MAR-TRE-8190bb11-29
0.444
MAR-TRE-66ac689e-11
0.443
MAR-TRE-8190bb11-77
0.440
MAR-TRE-a9136c7b-56
0.438
MAR-TRE-9d18ae8c-63
0.438
MAR-TRE-c317dd82-43
0.437
MAR-TRE-92684b97-21
0.437
MAR-TRE-66ac689e-13
0.432
MAR-TRE-a9136c7b-3
0.432
MAR-TRE-4f781e27-95
0.431
MAR-TRE-9d18ae8c-25
0.427
MAR-TRE-4f781e27-50
0.425
MAR-TRE-9d18ae8c-56
0.423
MAR-TRE-9d18ae8c-75
0.423
MAR-TRE-4f781e27-54
0.421
MAR-TRE-8190bb11-66
0.420
MAR-TRE-be9ff7d2-23
0.419
MAR-TRE-8190bb11-1
0.419
MAR-TRE-4f781e27-66
0.418
MAR-TRE-66ac689e-63
0.416
MAR-TRE-8190bb11-55
0.413
MAR-TRE-92684b97-13
0.413
MAR-TRE-be9ff7d2-63
0.411
MAR-TRE-92684b97-60
0.411
MAR-TRE-92684b97-69
0.408
MAR-TRE-8190bb11-84
0.408
MAR-TRE-4f781e27-61
0.407
MAR-TRE-4f781e27-62
0.405
MAR-TRE-be9ff7d2-58
0.405
MAR-TRE-a9136c7b-90
0.405
MAR-TRE-4f781e27-30
0.405
MAR-TRE-4f781e27-42
0.400
MAR-TRE-e82e6c98-89
0.400
MAR-TRE-e82e6c98-90
0.400
MAR-TRE-92684b97-9
0.400
MAR-TRE-66ac689e-50
0.397
MAR-TRE-92684b97-58
0.397
MAR-TRE-e82e6c98-58
0.397
MAR-TRE-be9ff7d2-13
0.395
MAR-TRE-799db12b-88
0.392
MAR-TRE-92684b97-90
0.392
MAR-TRE-8190bb11-44
0.392
MAR-TRE-be9ff7d2-4
0.390
MAR-TRE-66ac689e-16
0.390
MAR-TRE-9d18ae8c-45
0.388
MAR-TRE-8190bb11-87
0.388
MAR-TRE-66ac689e-78
0.388
MAR-TRE-9d18ae8c-70
0.388
MAR-TRE-92684b97-59
0.387
MAR-TRE-799db12b-30
0.386
MAR-TRE-be9ff7d2-27
0.383
MAR-TRE-8190bb11-38
0.383
MAR-TRE-8190bb11-60
0.382
MAR-TRE-9d18ae8c-5
0.381
MAR-TRE-799db12b-53
0.380
MAR-TRE-4f781e27-63
0.380
MAR-TRE-9d18ae8c-47
0.380
MAR-TRE-c317dd82-79
0.376
MAR-TRE-66ac689e-44
0.375
MAR-TRE-799db12b-83
0.373
MAR-TRE-92684b97-30
0.373
MAR-TRE-a9136c7b-25
0.373
MAR-TRE-799db12b-81
0.373
MAR-TRE-8190bb11-19
0.373
MAR-TRE-a9136c7b-39
0.373
MAR-TRE-799db12b-6
0.372
MAR-TRE-a9136c7b-84
0.372
MAR-TRE-4f781e27-52
0.369
MAR-TRE-92684b97-33
0.369
MAR-TRE-a9136c7b-1
0.368