Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)O)c1)c1cncnc1 |
MW: | 418.9 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 126.32 |
cLogP: | 1.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Filter9_metal
aryl bromide
Hetero_hetero
MAR-TRE-a9136c7b-3
0.683
MAR-TRE-8190bb11-32
0.625
MAR-TRE-4f781e27-87
0.625
MAR-TRE-a9136c7b-15
0.597
MAR-TRE-4f781e27-46
0.594
MAR-TRE-9d18ae8c-63
0.567
MAR-TRE-66ac689e-32
0.567
MAR-TRE-8190bb11-37
0.559
MAR-TRE-799db12b-5
0.557
MAR-TRE-4f781e27-15
0.543
MAR-TRE-e82e6c98-63
0.538
MAR-TRE-92684b97-60
0.537
MAR-TRE-8190bb11-29
0.529
MAR-TRE-66ac689e-16
0.529
MAR-TRE-8190bb11-60
0.522
MAR-TRE-a9136c7b-56
0.522
MAR-TRE-4f781e27-62
0.507
MAR-TRE-be9ff7d2-23
0.500
MAR-TRE-a9136c7b-75
0.493
MAR-TRE-92684b97-59
0.486
MAR-TRE-a9136c7b-40
0.486
MAR-TRE-e82e6c98-45
0.479
MAR-TRE-8190bb11-1
0.479
MAR-TRE-4f781e27-17
0.479
MAR-TRE-92684b97-9
0.479
MAR-TRE-66ac689e-13
0.472
MAR-TRE-92684b97-34
0.466
MAR-TRE-8190bb11-12
0.459
MAR-TRE-8190bb11-45
0.459
MAR-TRE-8190bb11-53
0.458
MAR-TRE-66ac689e-6
0.453
MAR-TRE-9d18ae8c-47
0.453
MAR-TRE-a9136c7b-39
0.451
MAR-TRE-9d18ae8c-82
0.444
MAR-TRE-8190bb11-52
0.443
MAR-TRE-a9136c7b-61
0.442
MAR-TRE-9d18ae8c-100
0.440
MAR-TRE-be9ff7d2-45
0.440
MAR-TRE-c317dd82-1
0.440
MAR-TRE-799db12b-6
0.439
MAR-TRE-92684b97-48
0.438
MAR-TRE-c317dd82-43
0.437
MAR-TRE-799db12b-53
0.434
MAR-TRE-8190bb11-55
0.432
MAR-TRE-9d18ae8c-77
0.432
MAR-TRE-9d18ae8c-5
0.432
MAR-TRE-8190bb11-94
0.430
MAR-TRE-92684b97-30
0.425
MAR-TRE-66ac689e-65
0.425
MAR-TRE-799db12b-56
0.425
MAR-TRE-8190bb11-57
0.425
MAR-TRE-be9ff7d2-58
0.425
MAR-TRE-92684b97-40
0.425
MAR-TRE-8190bb11-87
0.423
MAR-TRE-4f781e27-52
0.420
MAR-TRE-a9136c7b-92
0.419
MAR-TRE-c317dd82-36
0.416
MAR-TRE-92684b97-94
0.412
MAR-TRE-4f781e27-72
0.411
MAR-TRE-4f781e27-95
0.411
MAR-TRE-be9ff7d2-63
0.411
MAR-TRE-92684b97-65
0.410
MAR-TRE-8190bb11-84
0.408
MAR-TRE-9d18ae8c-44
0.407
MAR-TRE-4f781e27-97
0.407
MAR-TRE-799db12b-81
0.407
MAR-TRE-8190bb11-21
0.407
MAR-TRE-92684b97-23
0.407
MAR-TRE-66ac689e-4
0.407
MAR-TRE-799db12b-1
0.407
MAR-TRE-4f781e27-50
0.405
MAR-TRE-9d18ae8c-75
0.405
MAR-TRE-9d18ae8c-56
0.405
MAR-TRE-4f781e27-10
0.405
MAR-TRE-4f781e27-90
0.403
MAR-TRE-8190bb11-77
0.403
MAR-TRE-4f781e27-42
0.400
MAR-TRE-a9136c7b-1
0.400
MAR-TRE-a9136c7b-88
0.398
MAR-TRE-66ac689e-63
0.397
MAR-TRE-92684b97-21
0.397
MAR-TRE-92684b97-13
0.395
MAR-TRE-8190bb11-78
0.395
MAR-TRE-c317dd82-28
0.395
MAR-TRE-a9136c7b-79
0.393
MAR-TRE-a9136c7b-25
0.390
MAR-TRE-c317dd82-100
0.390
MAR-TRE-799db12b-10
0.390
MAR-TRE-a9136c7b-20
0.387
MAR-TRE-a9136c7b-99
0.386
MAR-TRE-799db12b-22
0.383
MAR-TRE-4f781e27-66
0.383
MAR-TRE-e82e6c98-89
0.382
MAR-TRE-799db12b-77
0.375
MAR-TRE-a9136c7b-60
0.375
MAR-TRE-be9ff7d2-31
0.373
MAR-TRE-8190bb11-44
0.373
MAR-TRE-9d18ae8c-25
0.372
MAR-TRE-66ac689e-39
0.372
MAR-TRE-92684b97-69
0.372