Molecular Properties | |
SMILES: | O=C(NC(Cc1ccnc(Br)c1)C(=O)O)c1cncnc1 |
MW: | 350.0 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 105.07 |
cLogP: | 1.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter9_metal
Filter94_2_halo_pyridine
aryl bromide
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
MAR-TRE-4f781e27-56
0.563
MAR-TRE-66ac689e-48
0.557
MAR-TRE-66ac689e-87
0.548
MAR-TRE-4f781e27-24
0.544
MAR-TRE-8190bb11-17
0.541
MAR-TRE-be9ff7d2-84
0.521
MAR-TRE-66ac689e-19
0.519
MAR-TRE-8190bb11-23
0.519
MAR-TRE-92684b97-98
0.513
MAR-TRE-e82e6c98-20
0.500
MAR-TRE-be9ff7d2-61
0.493
MAR-TRE-4f781e27-39
0.493
MAR-TRE-92684b97-41
0.465
MAR-TRE-4f781e27-94
0.457
MAR-TRE-e82e6c98-100
0.452
MAR-TRE-be9ff7d2-21
0.449
MAR-TRE-92684b97-5
0.449
MAR-TRE-be9ff7d2-10
0.444
MAR-TRE-be9ff7d2-9
0.444
MAR-TRE-4f781e27-93
0.443
MAR-TRE-8190bb11-48
0.431
MAR-TRE-8190bb11-70
0.430
MAR-TRE-e86a56b5-35
0.416
MAR-TRE-92684b97-35
0.411
MAR-TRE-92684b97-97
0.410
MAR-TRE-92684b97-8
0.405
MAR-TRE-8190bb11-97
0.400
MAR-TRE-c317dd82-95
0.398
MAR-TRE-be9ff7d2-93
0.397
MAR-TRE-92684b97-50
0.397
MAR-TRE-be9ff7d2-47
0.394
MAR-TRE-e82e6c98-70
0.389
MAR-TRE-66ac689e-92
0.388
MAR-TRE-92684b97-51
0.387
MAR-TRE-c317dd82-41
0.386
MAR-TRE-e82e6c98-30
0.384
MAR-TRE-66ac689e-41
0.382
MAR-TRE-8190bb11-54
0.382
MAR-TRE-799db12b-61
0.382
MAR-TRE-e82e6c98-79
0.380
MAR-TRE-a9136c7b-55
0.380
MAR-TRE-799db12b-50
0.380
MAR-TRE-8190bb11-71
0.378
MAR-TRE-e82e6c98-46
0.378
MAR-TRE-a9136c7b-36
0.377
MAR-TRE-9d18ae8c-19
0.376
MAR-TRE-9d18ae8c-24
0.376
MAR-TRE-9d18ae8c-51
0.373
MAR-TRE-4f781e27-73
0.373
MAR-TRE-8190bb11-59
0.373
MAR-TRE-799db12b-94
0.372
MAR-TRE-8190bb11-89
0.370
MAR-TRE-8190bb11-6
0.370
MAR-TRE-8190bb11-91
0.370
MAR-TRE-92684b97-92
0.369
MAR-TRE-8190bb11-11
0.368
MAR-TRE-9d18ae8c-64
0.368
MAR-TRE-a9136c7b-66
0.368
MAR-TRE-4f781e27-45
0.367
MAR-TRE-4f781e27-71
0.366
MAR-TRE-92684b97-63
0.365
MAR-TRE-66ac689e-62
0.365
MAR-TRE-9d18ae8c-59
0.365
MAR-TRE-66ac689e-18
0.364
MAR-TRE-799db12b-23
0.364
MAR-TRE-799db12b-96
0.364
MAR-TRE-8190bb11-72
0.364
MAR-TRE-4f781e27-26
0.364
MAR-TRE-4f781e27-91
0.364
MAR-TRE-92684b97-77
0.364
MAR-TRE-66ac689e-84
0.362
MAR-TRE-4f781e27-44
0.362
MAR-TRE-9d18ae8c-8
0.362
MAR-TRE-be9ff7d2-86
0.362
MAR-TRE-9d18ae8c-50
0.361
MAR-TRE-8190bb11-35
0.360
MAR-TRE-92684b97-56
0.360
MAR-TRE-92684b97-27
0.360
MAR-TRE-c317dd82-38
0.360
MAR-TRE-9d18ae8c-67
0.359
MAR-TRE-85681e92-40
0.359
MAR-TRE-66ac689e-97
0.358
MAR-TRE-8190bb11-93
0.357
MAR-TRE-4f781e27-20
0.357
MAR-TRE-799db12b-78
0.357
MAR-TRE-92684b97-16
0.357
MAR-TRE-4f781e27-5
0.356
MAR-TRE-66ac689e-57
0.355
MAR-TRE-e82e6c98-72
0.355
MAR-TRE-8190bb11-28
0.355
MAR-TRE-92684b97-17
0.355
MAR-TRE-85681e92-46
0.355
MAR-TRE-be9ff7d2-17
0.354
MAR-TRE-66ac689e-93
0.354
MAR-TRE-92684b97-86
0.354
MAR-TRE-9d18ae8c-97
0.354
MAR-TRE-a9136c7b-33
0.354
MAR-TRE-92684b97-91
0.354
MAR-TRE-799db12b-95
0.351
MAR-TRE-85681e92-91
0.351