Molecular Properties | |
SMILES: | O=C(NC(Cc1ccccn1)c1ccc(Br)cc1)c1cncnc1 |
MW: | 382.04 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 67.77 |
cLogP: | 3.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
MAR-TRE-4f781e27-44
0.620
MAR-TRE-4f781e27-73
0.557
MAR-TRE-92684b97-63
0.466
MAR-TRE-8190bb11-6
0.463
MAR-TRE-8190bb11-93
0.446
MAR-TRE-8190bb11-72
0.442
MAR-TRE-e82e6c98-70
0.432
MAR-TRE-8190bb11-89
0.427
MAR-TRE-4f781e27-4
0.427
MAR-TRE-9d18ae8c-50
0.417
MAR-TRE-8190bb11-11
0.410
MAR-TRE-66ac689e-62
0.408
MAR-TRE-9d18ae8c-59
0.408
MAR-TRE-92684b97-15
0.407
MAR-TRE-4f781e27-91
0.405
MAR-TRE-4f781e27-71
0.405
MAR-TRE-92684b97-56
0.403
MAR-TRE-9d18ae8c-67
0.400
MAR-TRE-9d18ae8c-24
0.398
MAR-TRE-9d18ae8c-41
0.398
MAR-TRE-66ac689e-49
0.397
MAR-TRE-66ac689e-57
0.397
MAR-TRE-799db12b-94
0.395
MAR-TRE-66ac689e-79
0.395
MAR-TRE-8190bb11-47
0.392
MAR-TRE-9d18ae8c-21
0.392
MAR-TRE-66ac689e-18
0.388
MAR-TRE-92684b97-84
0.384
MAR-TRE-92684b97-71
0.383
MAR-TRE-799db12b-47
0.383
MAR-TRE-66ac689e-95
0.383
MAR-TRE-799db12b-46
0.378
MAR-TRE-9d18ae8c-40
0.378
MAR-TRE-66ac689e-80
0.378
MAR-TRE-66ac689e-81
0.373
MAR-TRE-66ac689e-41
0.370
MAR-TRE-799db12b-50
0.369
MAR-TRE-92684b97-18
0.368
MAR-TRE-be9ff7d2-48
0.367
MAR-TRE-92684b97-87
0.367
MAR-TRE-9d18ae8c-19
0.367
MAR-TRE-a9136c7b-49
0.365
MAR-TRE-799db12b-80
0.365
MAR-TRE-799db12b-78
0.364
MAR-TRE-8190bb11-90
0.364
MAR-TRE-92684b97-16
0.364
MAR-TRE-9d18ae8c-22
0.364
MAR-TRE-92684b97-35
0.362
MAR-TRE-92684b97-86
0.361
MAR-TRE-9d18ae8c-97
0.361
MAR-TRE-92684b97-2
0.360
MAR-TRE-92684b97-51
0.358
MAR-TRE-92684b97-99
0.358
MAR-TRE-92684b97-49
0.358
MAR-TRE-66ac689e-68
0.357
MAR-TRE-4f781e27-45
0.357
MAR-TRE-92684b97-85
0.357
MAR-TRE-a9136c7b-59
0.356
MAR-TRE-9d18ae8c-94
0.356
MAR-TRE-66ac689e-58
0.354
MAR-TRE-e82e6c98-20
0.354
MAR-TRE-a9136c7b-55
0.353
MAR-TRE-66ac689e-48
0.353
MAR-TRE-e82e6c98-46
0.352
MAR-TRE-be9ff7d2-9
0.352
MAR-TRE-92684b97-50
0.350
MAR-TRE-799db12b-15
0.349
MAR-TRE-66ac689e-97
0.349
MAR-TRE-a9136c7b-69
0.348
MAR-TRE-a9136c7b-71
0.348
MAR-TRE-92684b97-12
0.348
MAR-TRE-4f781e27-39
0.346
MAR-TRE-8190bb11-48
0.346
MAR-TRE-a9136c7b-33
0.345
MAR-TRE-66ac689e-92
0.345
MAR-TRE-92684b97-68
0.344
MAR-TRE-4f781e27-78
0.342
MAR-TRE-9d18ae8c-87
0.341
MAR-TRE-be9ff7d2-84
0.341
MAR-TRE-92684b97-93
0.341
MAR-TRE-4f781e27-26
0.340
MAR-TRE-4f781e27-70
0.338
MAR-TRE-e82e6c98-30
0.338
MAR-TRE-8190bb11-54
0.337
MAR-TRE-66ac689e-71
0.337
MAR-TRE-66ac689e-87
0.337
MAR-TRE-9d18ae8c-26
0.337
MAR-TRE-8190bb11-17
0.333
MAR-TRE-4f781e27-86
0.333
MAR-TRE-a9136c7b-70
0.333
MAR-TRE-92684b97-98
0.330
MAR-TRE-4f781e27-68
0.330
MAR-TRE-9d18ae8c-28
0.329
MAR-TRE-c317dd82-94
0.329
MAR-TRE-66ac689e-42
0.329
MAR-TRE-8190bb11-28
0.329
MAR-TRE-be9ff7d2-47
0.329
MAR-TRE-9d18ae8c-20
0.326
MAR-TRE-66ac689e-61
0.326
MAR-TRE-9d18ae8c-60
0.326