Molecular Properties | |
SMILES: | O=C(CNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1)NC(=O)c1cncnc1 |
MW: | 441.96 |
Fraction sp3: | 0.07 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 155.42 |
cLogP: | 0.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
Activated haloaromatics
Filter9_metal
aryl bromide
Hetero_hetero
MAR-TRE-799db12b-56
0.714
MAR-TRE-4f781e27-87
0.642
MAR-TRE-c317dd82-39
0.634
MAR-TRE-8190bb11-32
0.447
MAR-TRE-8190bb11-3
0.443
MAR-TRE-66ac689e-32
0.442
MAR-TRE-799db12b-5
0.438
MAR-TRE-8190bb11-37
0.436
MAR-TRE-92684b97-60
0.416
MAR-TRE-4f781e27-62
0.410
MAR-TRE-4f781e27-17
0.405
MAR-TRE-c317dd82-19
0.393
MAR-TRE-9d18ae8c-63
0.388
MAR-TRE-a9136c7b-3
0.383
MAR-TRE-66ac689e-28
0.378
MAR-TRE-66ac689e-16
0.378
MAR-TRE-e82e6c98-63
0.377
MAR-TRE-92684b97-59
0.375
MAR-TRE-4f781e27-15
0.373
MAR-TRE-be9ff7d2-23
0.370
MAR-TRE-92684b97-48
0.370
MAR-TRE-a9136c7b-56
0.370
MAR-TRE-8190bb11-60
0.370
MAR-TRE-4f781e27-46
0.367
MAR-TRE-66ac689e-15
0.366
MAR-TRE-66ac689e-13
0.366
MAR-TRE-799db12b-86
0.364
MAR-TRE-799db12b-6
0.363
MAR-TRE-92684b97-34
0.361
MAR-TRE-a9136c7b-15
0.361
MAR-TRE-8190bb11-45
0.357
MAR-TRE-8190bb11-12
0.357
MAR-TRE-9d18ae8c-100
0.357
MAR-TRE-8190bb11-1
0.354
MAR-TRE-e82e6c98-45
0.354
MAR-TRE-9d18ae8c-47
0.353
MAR-TRE-8190bb11-94
0.352
MAR-TRE-a9136c7b-75
0.346
MAR-TRE-8190bb11-87
0.345
MAR-TRE-a9136c7b-61
0.345
MAR-TRE-4f781e27-80
0.345
MAR-TRE-a9136c7b-40
0.341
MAR-TRE-92684b97-40
0.341
MAR-TRE-8190bb11-57
0.341
MAR-TRE-8190bb11-77
0.341
MAR-TRE-8190bb11-53
0.337
MAR-TRE-92684b97-9
0.337
MAR-TRE-799db12b-53
0.337
MAR-TRE-66ac689e-6
0.337
MAR-TRE-92684b97-94
0.337
MAR-TRE-799db12b-81
0.333
MAR-TRE-66ac689e-65
0.333
MAR-TRE-4f781e27-10
0.333
MAR-TRE-92684b97-13
0.333
MAR-TRE-92684b97-30
0.333
MAR-TRE-c317dd82-43
0.333
MAR-TRE-a9136c7b-1
0.330
MAR-TRE-66ac689e-9
0.330
MAR-TRE-e82e6c98-72
0.329
MAR-TRE-9d18ae8c-5
0.326
MAR-TRE-a9136c7b-88
0.326
MAR-TRE-be9ff7d2-45
0.326
MAR-TRE-8190bb11-29
0.325
MAR-TRE-be9ff7d2-58
0.325
MAR-TRE-9d18ae8c-82
0.323
MAR-TRE-a9136c7b-79
0.323
MAR-TRE-a9136c7b-92
0.321
MAR-TRE-e82e6c98-89
0.321
MAR-TRE-4f781e27-19
0.321
MAR-TRE-4f781e27-42
0.321
MAR-TRE-66ac689e-4
0.319
MAR-TRE-4f781e27-97
0.319
MAR-TRE-92684b97-23
0.319
MAR-TRE-a9136c7b-25
0.319
MAR-TRE-799db12b-93
0.319
MAR-TRE-92684b97-38
0.318
MAR-TRE-be9ff7d2-44
0.318
MAR-TRE-8190bb11-78
0.318
MAR-TRE-e82e6c98-7
0.317
MAR-TRE-92684b97-66
0.317
MAR-TRE-4f781e27-52
0.315
MAR-TRE-a9136c7b-41
0.315
MAR-TRE-799db12b-10
0.314
MAR-TRE-4f781e27-95
0.313
MAR-TRE-92684b97-35
0.313
MAR-TRE-4f781e27-72
0.313
MAR-TRE-66ac689e-14
0.313
MAR-TRE-c317dd82-78
0.312
MAR-TRE-799db12b-37
0.312
MAR-TRE-4f781e27-66
0.311
MAR-TRE-c317dd82-1
0.310
MAR-TRE-799db12b-32
0.310
MAR-TRE-a9136c7b-20
0.310
MAR-TRE-be9ff7d2-25
0.310
MAR-TRE-4f781e27-50
0.310
MAR-TRE-4f781e27-49
0.309
MAR-TRE-799db12b-95
0.309
MAR-TRE-8190bb11-24
0.309
MAR-TRE-4f781e27-78
0.309
MAR-TRE-c317dd82-2
0.309