Molecular Properties | |
SMILES: | COC(=O)CC(NC(=O)c1cncnc1)c1cccc(Br)c1 |
MW: | 363.02 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 81.18 |
cLogP: | 2.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
Ester
Long aliphatic chain
MAR-TRE-92684b97-2
0.608
MAR-TRE-e82e6c98-46
0.603
MAR-TRE-66ac689e-95
0.594
MAR-TRE-92684b97-71
0.594
MAR-TRE-c317dd82-94
0.586
MAR-TRE-66ac689e-80
0.586
MAR-TRE-799db12b-46
0.586
MAR-TRE-9d18ae8c-40
0.586
MAR-TRE-66ac689e-97
0.562
MAR-TRE-4f781e27-45
0.556
MAR-TRE-92684b97-86
0.542
MAR-TRE-66ac689e-41
0.535
MAR-TRE-92684b97-35
0.529
MAR-TRE-92684b97-68
0.487
MAR-TRE-a9136c7b-46
0.487
MAR-TRE-a9136c7b-49
0.481
MAR-TRE-8190bb11-11
0.479
MAR-TRE-e82e6c98-13
0.474
MAR-TRE-92684b97-85
0.474
MAR-TRE-66ac689e-18
0.473
MAR-TRE-a9136c7b-59
0.468
MAR-TRE-9d18ae8c-21
0.459
MAR-TRE-9d18ae8c-59
0.458
MAR-TRE-9d18ae8c-19
0.458
MAR-TRE-66ac689e-68
0.455
MAR-TRE-92684b97-56
0.452
MAR-TRE-e82e6c98-70
0.444
MAR-TRE-9d18ae8c-24
0.440
MAR-TRE-66ac689e-92
0.438
MAR-TRE-92684b97-77
0.434
MAR-TRE-66ac689e-57
0.427
MAR-TRE-4f781e27-73
0.427
MAR-TRE-799db12b-80
0.425
MAR-TRE-66ac689e-93
0.423
MAR-TRE-4f781e27-14
0.423
MAR-TRE-799db12b-94
0.423
MAR-TRE-9d18ae8c-97
0.423
MAR-TRE-4f781e27-56
0.420
MAR-TRE-799db12b-47
0.410
MAR-TRE-66ac689e-79
0.405
MAR-TRE-a9136c7b-71
0.405
MAR-TRE-4f781e27-20
0.405
MAR-TRE-9d18ae8c-51
0.405
MAR-TRE-a9136c7b-69
0.405
MAR-TRE-a9136c7b-58
0.405
MAR-TRE-8190bb11-10
0.400
MAR-TRE-4f781e27-91
0.397
MAR-TRE-799db12b-50
0.395
MAR-TRE-66ac689e-84
0.395
MAR-TRE-66ac689e-71
0.395
MAR-TRE-be9ff7d2-48
0.395
MAR-TRE-66ac689e-87
0.393
MAR-TRE-8190bb11-70
0.393
MAR-TRE-4f781e27-86
0.392
MAR-TRE-92684b97-17
0.390
MAR-TRE-8190bb11-90
0.388
MAR-TRE-4f781e27-4
0.386
MAR-TRE-9d18ae8c-80
0.386
MAR-TRE-9d18ae8c-64
0.385
MAR-TRE-8190bb11-47
0.385
MAR-TRE-66ac689e-98
0.383
MAR-TRE-66ac689e-62
0.382
MAR-TRE-799db12b-87
0.381
MAR-TRE-8190bb11-72
0.380
MAR-TRE-92684b97-93
0.379
MAR-TRE-a9136c7b-55
0.378
MAR-TRE-8190bb11-71
0.377
MAR-TRE-92684b97-87
0.377
MAR-TRE-4f781e27-74
0.375
MAR-TRE-4f781e27-43
0.375
MAR-TRE-799db12b-15
0.373
MAR-TRE-8190bb11-93
0.372
MAR-TRE-a9136c7b-78
0.372
MAR-TRE-799db12b-78
0.372
MAR-TRE-8190bb11-59
0.372
MAR-TRE-66ac689e-49
0.372
MAR-TRE-8190bb11-28
0.372
MAR-TRE-799db12b-19
0.371
MAR-TRE-92684b97-12
0.371
MAR-TRE-66ac689e-72
0.370
MAR-TRE-8190bb11-6
0.369
MAR-TRE-92684b97-29
0.369
MAR-TRE-9d18ae8c-85
0.367
MAR-TRE-799db12b-32
0.366
MAR-TRE-66ac689e-81
0.366
MAR-TRE-799db12b-79
0.366
MAR-TRE-92684b97-1
0.364
MAR-TRE-92684b97-32
0.364
MAR-TRE-92684b97-63
0.364
MAR-TRE-9d18ae8c-86
0.364
MAR-TRE-4f781e27-26
0.363
MAR-TRE-4f781e27-24
0.362
MAR-TRE-4f781e27-29
0.362
MAR-TRE-e82e6c98-71
0.362
MAR-TRE-8190bb11-97
0.362
MAR-TRE-66ac689e-22
0.361
MAR-TRE-66ac689e-27
0.361
MAR-TRE-799db12b-73
0.361
MAR-TRE-9d18ae8c-99
0.361
MAR-TRE-9d18ae8c-37
0.361