Molecular Properties | |
SMILES: | O=C(CNC(=O)c1cncnc1)Nc1cccc(Br)c1 |
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-92684b97-89
0.636
MAR-TRE-4f781e27-49
0.633
MAR-TRE-c317dd82-63
0.594
MAR-TRE-4f781e27-19
0.537
MAR-TRE-799db12b-39
0.529
MAR-TRE-9d18ae8c-48
0.522
MAR-TRE-a9136c7b-51
0.521
MAR-TRE-a9136c7b-28
0.514
MAR-TRE-66ac689e-37
0.466
MAR-TRE-9d18ae8c-53
0.459
MAR-TRE-c317dd82-35
0.458
MAR-TRE-799db12b-27
0.453
MAR-TRE-e82e6c98-54
0.449
MAR-TRE-9d18ae8c-54
0.442
MAR-TRE-799db12b-24
0.442
MAR-TRE-799db12b-33
0.442
MAR-TRE-66ac689e-28
0.438
MAR-TRE-9d18ae8c-11
0.425
MAR-TRE-9d18ae8c-43
0.425
MAR-TRE-799db12b-16
0.416
MAR-TRE-799db12b-76
0.410
MAR-TRE-e82e6c98-77
0.408
MAR-TRE-a9136c7b-11
0.407
MAR-TRE-799db12b-84
0.405
MAR-TRE-9d18ae8c-18
0.405
MAR-TRE-799db12b-2
0.405
MAR-TRE-799db12b-3
0.405
MAR-TRE-92684b97-35
0.403
MAR-TRE-9d18ae8c-52
0.400
MAR-TRE-9d18ae8c-30
0.400
MAR-TRE-4f781e27-2
0.400
MAR-TRE-799db12b-43
0.400
MAR-TRE-66ac689e-65
0.400
MAR-TRE-9d18ae8c-7
0.395
MAR-TRE-799db12b-51
0.390
MAR-TRE-4f781e27-74
0.387
MAR-TRE-92684b97-6
0.386
MAR-TRE-9d18ae8c-34
0.386
MAR-TRE-799db12b-14
0.386
MAR-TRE-799db12b-97
0.386
MAR-TRE-9d18ae8c-10
0.381
MAR-TRE-e82e6c98-50
0.377
MAR-TRE-4f781e27-45
0.377
MAR-TRE-9d18ae8c-16
0.376
MAR-TRE-4f781e27-71
0.375
MAR-TRE-4f781e27-96
0.372
MAR-TRE-66ac689e-73
0.372
MAR-TRE-9d18ae8c-33
0.368
MAR-TRE-799db12b-4
0.368
MAR-TRE-92684b97-55
0.367
MAR-TRE-8190bb11-20
0.367
MAR-TRE-1c920f6f-44
0.366
MAR-TRE-4f781e27-47
0.366
MAR-TRE-799db12b-86
0.366
MAR-TRE-66ac689e-72
0.364
MAR-TRE-92684b97-34
0.364
MAR-TRE-a9136c7b-42
0.358
MAR-TRE-66ac689e-31
0.358
MAR-TRE-66ac689e-34
0.358
MAR-TRE-66ac689e-76
0.358
MAR-TRE-799db12b-37
0.357
MAR-TRE-a9136c7b-76
0.357
MAR-TRE-9d18ae8c-2
0.354
MAR-TRE-92684b97-67
0.354
MAR-TRE-8190bb11-4
0.354
MAR-TRE-92684b97-78
0.352
MAR-TRE-9d18ae8c-62
0.352
MAR-TRE-92684b97-14
0.350
MAR-TRE-66ac689e-8
0.350
MAR-TRE-9d18ae8c-36
0.349
MAR-TRE-a9136c7b-57
0.349
JAG-UCB-ef2c0e8e-2
0.347
MAR-TRE-8190bb11-42
0.347
RAL-MED-2de63afb-12
0.346
MAR-TRE-be9ff7d2-98
0.346
MAR-TRE-8190bb11-86
0.346
MAR-TRE-799db12b-40
0.345
MAR-TRE-be9ff7d2-67
0.343
MAR-TRE-8190bb11-85
0.342
MAR-TRE-e82e6c98-76
0.342
MAR-TRE-4f781e27-16
0.342
MAR-TRE-66ac689e-98
0.342
MAR-TRE-799db12b-87
0.341
MAR-TRE-9d18ae8c-77
0.341
MAR-TRE-8190bb11-92
0.338
MAR-TRE-799db12b-48
0.337
MAR-TRE-66ac689e-25
0.337
MAR-TRE-9d18ae8c-82
0.337
MAR-TRE-92684b97-11
0.333
MAR-TRE-92684b97-81
0.333
MAR-TRE-9d18ae8c-13
0.333
MAR-TRE-4f781e27-85
0.333
MAR-TRE-8190bb11-78
0.333
MAR-TRE-8190bb11-80
0.333
MAR-TRE-9d18ae8c-49
0.333
MAR-TRE-c317dd82-59
0.333
MAR-TRE-be9ff7d2-90
0.333
MAR-TRE-e82e6c98-91
0.333
MAR-TRE-a9136c7b-78
0.333
MAR-TRE-799db12b-34
0.333