Molecular Properties | |
SMILES: | COc1cc(Br)c(S(=O)(=O)NC(=O)c2cncnc2)cc1OC |
MW: | 400.97 |
Fraction sp3: | 0.15 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 107.48 |
cLogP: | 1.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Filter9_metal
aryl bromide
Hetero_hetero
MAR-TRE-8190bb11-77
0.615
MAR-TRE-8190bb11-78
0.609
MAR-TRE-4f781e27-17
0.545
MAR-TRE-e82e6c98-58
0.536
MAR-TRE-799db12b-77
0.529
MAR-TRE-799db12b-5
0.514
MAR-TRE-4f781e27-66
0.514
MAR-TRE-799db12b-10
0.507
MAR-TRE-92684b97-34
0.486
MAR-TRE-9d18ae8c-45
0.474
MAR-TRE-8190bb11-38
0.473
MAR-TRE-66ac689e-63
0.472
MAR-TRE-4f781e27-72
0.471
MAR-TRE-a9136c7b-60
0.466
MAR-TRE-92684b97-40
0.464
MAR-TRE-66ac689e-11
0.461
MAR-TRE-4f781e27-30
0.459
MAR-TRE-8190bb11-12
0.458
MAR-TRE-8190bb11-45
0.458
MAR-TRE-92684b97-48
0.457
MAR-TRE-92684b97-13
0.451
MAR-TRE-4f781e27-95
0.449
MAR-TRE-92684b97-60
0.449
MAR-TRE-92684b97-69
0.444
MAR-TRE-a9136c7b-40
0.443
MAR-TRE-8190bb11-57
0.443
MAR-TRE-4f781e27-62
0.443
MAR-TRE-4f781e27-87
0.443
MAR-TRE-8190bb11-53
0.437
MAR-TRE-4f781e27-46
0.435
MAR-TRE-92684b97-21
0.435
MAR-TRE-be9ff7d2-13
0.431
MAR-TRE-66ac689e-13
0.431
MAR-TRE-4f781e27-3
0.429
MAR-TRE-e82e6c98-63
0.426
MAR-TRE-c317dd82-100
0.425
MAR-TRE-66ac689e-16
0.425
MAR-TRE-8190bb11-84
0.425
MAR-TRE-9d18ae8c-25
0.425
MAR-TRE-799db12b-83
0.423
MAR-TRE-a9136c7b-20
0.423
MAR-TRE-92684b97-59
0.423
MAR-TRE-4f781e27-54
0.419
MAR-TRE-8190bb11-3
0.419
MAR-TRE-e82e6c98-89
0.417
MAR-TRE-8190bb11-37
0.411
MAR-TRE-8190bb11-55
0.411
MAR-TRE-a9136c7b-75
0.408
MAR-TRE-8190bb11-15
0.405
MAR-TRE-be9ff7d2-4
0.405
MAR-TRE-8190bb11-19
0.405
MAR-TRE-8190bb11-32
0.403
MAR-TRE-4f781e27-50
0.403
MAR-TRE-8190bb11-87
0.403
MAR-TRE-a9136c7b-61
0.403
MAR-TRE-9d18ae8c-56
0.403
MAR-TRE-9d18ae8c-75
0.403
MAR-TRE-a9136c7b-90
0.403
MAR-TRE-92684b97-33
0.400
MAR-TRE-799db12b-30
0.400
MAR-TRE-e82e6c98-90
0.397
MAR-TRE-92684b97-42
0.397
MAR-TRE-e82e6c98-45
0.397
MAR-TRE-66ac689e-32
0.397
MAR-TRE-9d18ae8c-63
0.397
MAR-TRE-be9ff7d2-23
0.397
MAR-TRE-a9136c7b-56
0.397
MAR-TRE-8190bb11-60
0.397
MAR-TRE-92684b97-9
0.397
MAR-TRE-8190bb11-1
0.397
MAR-TRE-799db12b-42
0.395
MAR-TRE-66ac689e-6
0.395
MAR-TRE-4f781e27-63
0.395
MAR-TRE-92684b97-58
0.395
MAR-TRE-66ac689e-50
0.395
MAR-TRE-c317dd82-43
0.394
MAR-TRE-4f781e27-89
0.392
MAR-TRE-a9136c7b-79
0.390
MAR-TRE-92684b97-90
0.390
MAR-TRE-799db12b-88
0.390
MAR-TRE-66ac689e-44
0.390
MAR-TRE-be9ff7d2-31
0.389
MAR-TRE-be9ff7d2-63
0.389
MAR-TRE-a9136c7b-39
0.389
MAR-TRE-8190bb11-44
0.389
MAR-TRE-9d18ae8c-44
0.388
MAR-TRE-4f781e27-97
0.388
MAR-TRE-a9136c7b-15
0.387
MAR-TRE-a9136c7b-84
0.387
MAR-TRE-9d18ae8c-70
0.385
MAR-TRE-66ac689e-78
0.385
MAR-TRE-be9ff7d2-58
0.384
MAR-TRE-8190bb11-29
0.384
MAR-TRE-8190bb11-66
0.383
MAR-TRE-9d18ae8c-100
0.382
MAR-TRE-be9ff7d2-45
0.382
MAR-TRE-c317dd82-1
0.382
MAR-TRE-4f781e27-15
0.382
MAR-TRE-be9ff7d2-27
0.380
MAR-TRE-a9136c7b-43
0.378