Molecular Properties | |
SMILES: | O=C(NC(CCO)c1ccccc1Br)c1cncnc1 |
MW: | 335.03 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 75.11 |
cLogP: | 2.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
MAR-TRE-9d18ae8c-94
0.580
MAR-TRE-92684b97-50
0.571
MAR-TRE-92684b97-99
0.554
MAR-TRE-a9136c7b-33
0.552
MAR-TRE-4f781e27-73
0.538
MAR-TRE-4f781e27-86
0.537
MAR-TRE-66ac689e-62
0.508
MAR-TRE-66ac689e-49
0.493
MAR-TRE-66ac689e-68
0.479
MAR-TRE-92684b97-85
0.479
MAR-TRE-be9ff7d2-48
0.478
MAR-TRE-799db12b-47
0.471
MAR-TRE-799db12b-15
0.446
MAR-TRE-e82e6c98-70
0.426
MAR-TRE-8190bb11-91
0.426
MAR-TRE-9d18ae8c-97
0.425
MAR-TRE-8190bb11-11
0.423
MAR-TRE-66ac689e-92
0.421
MAR-TRE-4f781e27-4
0.421
MAR-TRE-9d18ae8c-59
0.420
MAR-TRE-66ac689e-41
0.417
MAR-TRE-92684b97-27
0.414
MAR-TRE-92684b97-56
0.414
MAR-TRE-4f781e27-44
0.413
MAR-TRE-9d18ae8c-50
0.410
MAR-TRE-66ac689e-57
0.408
MAR-TRE-66ac689e-97
0.408
MAR-TRE-92684b97-86
0.405
MAR-TRE-8190bb11-90
0.405
MAR-TRE-9d18ae8c-51
0.405
MAR-TRE-8190bb11-47
0.403
MAR-TRE-9d18ae8c-21
0.403
MAR-TRE-92684b97-68
0.400
MAR-TRE-4f781e27-71
0.397
MAR-TRE-66ac689e-18
0.397
MAR-TRE-a9136c7b-55
0.395
MAR-TRE-799db12b-50
0.395
MAR-TRE-92684b97-87
0.394
MAR-TRE-4f781e27-40
0.392
MAR-TRE-4f781e27-32
0.389
MAR-TRE-799db12b-94
0.387
MAR-TRE-66ac689e-79
0.387
MAR-TRE-8190bb11-6
0.385
MAR-TRE-a9136c7b-46
0.380
MAR-TRE-799db12b-23
0.378
MAR-TRE-8190bb11-72
0.378
MAR-TRE-4f781e27-19
0.378
MAR-TRE-9d18ae8c-8
0.377
MAR-TRE-9d18ae8c-99
0.377
MAR-TRE-92684b97-84
0.375
MAR-TRE-9d18ae8c-19
0.373
MAR-TRE-9d18ae8c-24
0.373
MAR-TRE-66ac689e-95
0.373
MAR-TRE-8190bb11-98
0.373
MAR-TRE-92684b97-71
0.373
MAR-TRE-799db12b-80
0.372
MAR-TRE-a9136c7b-49
0.372
MAR-TRE-a9136c7b-58
0.370
MAR-TRE-66ac689e-36
0.370
MAR-TRE-8190bb11-93
0.370
MAR-TRE-8190bb11-48
0.370
MAR-TRE-92684b97-35
0.370
MAR-TRE-9d18ae8c-40
0.368
MAR-TRE-c317dd82-94
0.368
MAR-TRE-799db12b-46
0.368
MAR-TRE-66ac689e-80
0.368
MAR-TRE-92684b97-2
0.366
MAR-TRE-9d18ae8c-64
0.365
MAR-TRE-92684b97-51
0.365
MAR-TRE-e82e6c98-13
0.364
MAR-TRE-66ac689e-81
0.364
MAR-TRE-799db12b-85
0.361
MAR-TRE-92684b97-93
0.361
MAR-TRE-e82e6c98-30
0.361
MAR-TRE-92684b97-63
0.361
MAR-TRE-8190bb11-54
0.360
MAR-TRE-4f781e27-29
0.360
MAR-TRE-9d18ae8c-17
0.358
MAR-TRE-4f781e27-9
0.357
MAR-TRE-9d18ae8c-67
0.355
MAR-TRE-a9136c7b-71
0.354
MAR-TRE-4f781e27-93
0.354
MAR-TRE-4f781e27-94
0.353
MAR-TRE-be9ff7d2-47
0.352
MAR-TRE-8190bb11-59
0.351
MAR-TRE-4f781e27-39
0.351
MAR-TRE-9d18ae8c-25
0.351
MAR-TRE-4f781e27-56
0.350
MAR-TRE-799db12b-95
0.347
MAR-TRE-92684b97-41
0.347
MAR-TRE-4f781e27-62
0.347
MAR-TRE-4f781e27-45
0.346
MAR-TRE-92684b97-15
0.346
MAR-TRE-a9136c7b-59
0.346
MAR-TRE-9d18ae8c-20
0.345
MAR-TRE-9d18ae8c-72
0.342
MAR-TRE-e82e6c98-20
0.342
MAR-TRE-8190bb11-97
0.342
MAR-TRE-66ac689e-71
0.342
MAR-TRE-66ac689e-48
0.342