Molecular Properties | |
SMILES: | O=C(CNC(=O)c1cncnc1)Nc1ccccc1Br |
MW: | 334.01 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 83.98 |
cLogP: | 1.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
Dipeptide
MAR-TRE-9d18ae8c-48
0.576
MAR-TRE-a9136c7b-28
0.567
MAR-TRE-4f781e27-49
0.565
MAR-TRE-4f781e27-43
0.537
MAR-TRE-c317dd82-35
0.529
MAR-TRE-c317dd82-63
0.485
MAR-TRE-92684b97-89
0.466
MAR-TRE-a9136c7b-51
0.447
MAR-TRE-e82e6c98-54
0.435
MAR-TRE-e82e6c98-77
0.414
MAR-TRE-799db12b-39
0.413
TAT-ENA-80bfd3e5-42
0.412
MAT-POS-fa06b69f-8
0.412
MAR-TRE-799db12b-84
0.411
MAR-TRE-66ac689e-28
0.405
MAR-TRE-4f781e27-96
0.395
MAR-TRE-66ac689e-50
0.395
MAR-TRE-8190bb11-51
0.392
MAR-TRE-8190bb11-96
0.384
MAR-TRE-4f781e27-91
0.378
MAR-TRE-92684b97-50
0.375
MAR-TRE-4f781e27-86
0.373
MAR-TRE-f5c2d31c-49
0.372
MAR-TRE-4f781e27-32
0.370
MAR-TRE-8190bb11-30
0.367
MAR-TRE-92684b97-99
0.365
MAR-TRE-4f781e27-62
0.365
MAR-TRE-799db12b-20
0.364
MAR-TRE-66ac689e-34
0.362
MAR-TRE-66ac689e-37
0.359
MAR-TRE-9d18ae8c-83
0.358
MAR-TRE-92684b97-78
0.357
MAR-TRE-4f781e27-85
0.356
MAR-TRE-799db12b-74
0.355
MAR-TRE-9d18ae8c-53
0.354
MAR-TRE-4f781e27-57
0.354
MAR-TRE-8190bb11-42
0.351
MAR-TRE-4f781e27-28
0.351
MAR-TRE-66ac689e-30
0.351
MAR-TRE-be9ff7d2-98
0.351
MAR-TRE-799db12b-27
0.350
MAR-TRE-be9ff7d2-67
0.348
MAR-TRE-8190bb11-85
0.347
MAR-TRE-4f781e27-16
0.346
MAR-TRE-e82e6c98-50
0.346
MAR-TRE-799db12b-63
0.346
MAR-TRE-9d18ae8c-74
0.346
MAR-TRE-9d18ae8c-69
0.346
MAR-TRE-92684b97-96
0.346
MAR-TRE-9d18ae8c-43
0.345
MAR-TRE-a9136c7b-76
0.345
MAR-TRE-4f781e27-17
0.342
MAR-TRE-66ac689e-59
0.342
MAR-TRE-92684b97-44
0.342
MAR-TRE-9d18ae8c-14
0.342
MAR-TRE-9d18ae8c-54
0.341
MAR-TRE-92684b97-67
0.341
MAR-TRE-4f781e27-34
0.341
MAR-TRE-799db12b-33
0.341
MAR-TRE-9d18ae8c-18
0.341
MAR-TRE-799db12b-24
0.341
MAR-TRE-799db12b-60
0.341
MAR-TRE-be9ff7d2-90
0.338
MAR-TRE-4f781e27-74
0.338
MAR-TRE-92684b97-11
0.338
MAR-TRE-e82e6c98-75
0.338
MAR-TRE-66ac689e-35
0.338
MAR-TRE-8190bb11-40
0.338
MAR-TRE-9d18ae8c-35
0.338
MAR-TRE-799db12b-44
0.338
MAR-TRE-e82e6c98-91
0.338
MAR-TRE-4f781e27-83
0.337
MAR-TRE-9d18ae8c-52
0.337
MAR-TRE-be9ff7d2-37
0.337
MAR-TRE-4f781e27-95
0.333
MAR-TRE-92684b97-35
0.333
MAR-TRE-66ac689e-91
0.333
MAR-TRE-4f781e27-12
0.333
MAR-TRE-4f781e27-30
0.333
MAR-TRE-9d18ae8c-70
0.333
MAR-TRE-92684b97-60
0.333
MAR-TRE-e82e6c98-26
0.333
MAR-TRE-799db12b-16
0.333
MAR-TRE-92684b97-53
0.333
MAR-TRE-be9ff7d2-17
0.333
MAR-TRE-e82e6c98-74
0.333
MAR-TRE-799db12b-89
0.333
MAR-TRE-a9136c7b-23
0.330
GAB-REV-70cc3ca5-5
0.330
MAR-TRE-9d18ae8c-11
0.329
MAR-TRE-4f781e27-81
0.329
MAR-TRE-66ac689e-40
0.329
MAR-TRE-799db12b-87
0.329
MAR-TRE-66ac689e-67
0.329
MAR-TRE-92684b97-37
0.329
MAR-TRE-8190bb11-82
0.329
MAR-TRE-92684b97-54
0.329
MAR-TRE-66ac689e-98
0.329
MAR-TRE-8190bb11-81
0.329
MAR-TRE-e82e6c98-29
0.329