Molecular Properties | |
SMILES: | O=C(NC(CCO)c1ccc(Br)cc1)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-66ac689e-62
0.745
MAR-TRE-66ac689e-49
0.719
MAR-TRE-799db12b-47
0.683
MAR-TRE-be9ff7d2-48
0.590
MAR-TRE-799db12b-15
0.567
MAR-TRE-66ac689e-68
0.561
MAR-TRE-92684b97-85
0.561
MAR-TRE-9d18ae8c-51
0.557
MAR-TRE-66ac689e-79
0.545
MAR-TRE-4f781e27-91
0.538
MAR-TRE-8190bb11-72
0.538
MAR-TRE-92684b97-63
0.524
MAR-TRE-799db12b-50
0.507
MAR-TRE-799db12b-80
0.500
MAR-TRE-9d18ae8c-59
0.500
MAR-TRE-92684b97-56
0.492
MAR-TRE-66ac689e-95
0.485
MAR-TRE-66ac689e-57
0.485
MAR-TRE-a9136c7b-33
0.478
MAR-TRE-8190bb11-47
0.478
MAR-TRE-9d18ae8c-21
0.478
MAR-TRE-66ac689e-18
0.471
MAR-TRE-a9136c7b-55
0.465
MAR-TRE-92684b97-71
0.464
MAR-TRE-e82e6c98-70
0.462
MAR-TRE-799db12b-46
0.457
MAR-TRE-66ac689e-80
0.457
MAR-TRE-799db12b-94
0.457
MAR-TRE-9d18ae8c-40
0.457
MAR-TRE-8190bb11-11
0.456
MAR-TRE-8190bb11-89
0.452
MAR-TRE-66ac689e-92
0.452
MAR-TRE-9d18ae8c-94
0.446
MAR-TRE-4f781e27-4
0.432
MAR-TRE-a9136c7b-59
0.427
MAR-TRE-4f781e27-71
0.427
MAR-TRE-8190bb11-6
0.413
MAR-TRE-66ac689e-41
0.408
MAR-TRE-92684b97-87
0.406
MAR-TRE-9d18ae8c-50
0.403
MAR-TRE-a9136c7b-49
0.400
MAR-TRE-92684b97-35
0.400
MAR-TRE-9d18ae8c-24
0.400
MAR-TRE-8190bb11-90
0.397
MAR-TRE-a9136c7b-69
0.397
MAR-TRE-a9136c7b-71
0.397
MAR-TRE-8190bb11-93
0.397
MAR-TRE-c317dd82-94
0.397
MAR-TRE-92684b97-86
0.397
MAR-TRE-e82e6c98-13
0.392
MAR-TRE-66ac689e-58
0.391
MAR-TRE-8190bb11-54
0.389
MAR-TRE-4f781e27-44
0.387
MAR-TRE-66ac689e-97
0.382
MAR-TRE-4f781e27-39
0.380
MAR-TRE-8190bb11-48
0.380
MAR-TRE-799db12b-78
0.380
MAR-TRE-9d18ae8c-97
0.378
MAR-TRE-4f781e27-78
0.377
MAR-TRE-92684b97-2
0.375
MAR-TRE-9d18ae8c-87
0.375
MAR-TRE-66ac689e-81
0.373
MAR-TRE-4f781e27-45
0.373
MAR-TRE-92684b97-15
0.373
MAR-TRE-92684b97-49
0.372
MAR-TRE-a9136c7b-46
0.372
MAR-TRE-8190bb11-5
0.371
MAR-TRE-4f781e27-70
0.371
MAR-TRE-8190bb11-97
0.370
MAR-TRE-799db12b-61
0.370
MAR-TRE-4f781e27-26
0.369
MAR-TRE-66ac689e-71
0.368
MAR-TRE-e82e6c98-46
0.367
MAR-TRE-799db12b-91
0.366
MAR-TRE-92684b97-50
0.366
MAR-TRE-9d18ae8c-19
0.366
MAR-TRE-9d18ae8c-26
0.366
MAR-TRE-9d18ae8c-67
0.365
MAR-TRE-a9136c7b-58
0.362
MAR-TRE-be9ff7d2-47
0.362
MAR-TRE-8190bb11-59
0.361
MAR-TRE-66ac689e-42
0.360
MAR-TRE-92684b97-41
0.356
MAR-TRE-92684b97-80
0.356
MAR-TRE-92684b97-99
0.356
MAR-TRE-92684b97-51
0.356
MAR-TRE-9d18ae8c-85
0.356
MAR-TRE-8190bb11-74
0.355
MAR-TRE-799db12b-79
0.355
MAR-TRE-799db12b-32
0.355
MAR-TRE-66ac689e-100
0.355
MAR-TRE-c317dd82-41
0.353
MAR-TRE-e82e6c98-30
0.352
MAR-TRE-e82e6c98-43
0.352
MAR-TRE-799db12b-96
0.351
MAR-TRE-4f781e27-29
0.351
MAR-TRE-66ac689e-3
0.351
MAR-TRE-66ac689e-48
0.351
MAR-TRE-66ac689e-85
0.351
MAR-TRE-799db12b-100
0.351