Molecular Properties | |
SMILES: | COC(=O)CC(C)(NC(=O)c1cncnc1)c1ccc(Br)cc1 |
MW: | 377.04 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 81.18 |
cLogP: | 2.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
Ester
Long aliphatic chain
MAR-TRE-799db12b-66
0.754
MAR-TRE-e82e6c98-9
0.721
MAR-TRE-799db12b-75
0.592
MAR-TRE-799db12b-90
0.583
MAR-TRE-4f781e27-78
0.562
MAR-TRE-4f781e27-74
0.452
MAR-TRE-66ac689e-23
0.451
MAR-TRE-66ac689e-75
0.449
MAR-TRE-66ac689e-86
0.431
MAR-TRE-e82e6c98-11
0.427
MAR-TRE-799db12b-41
0.425
MAR-TRE-8190bb11-92
0.416
MAR-TRE-66ac689e-14
0.411
MAR-TRE-66ac689e-70
0.411
MAR-TRE-4f781e27-32
0.411
MAR-TRE-a9136c7b-81
0.408
MAR-TRE-92684b97-26
0.405
MAR-TRE-8190bb11-22
0.390
MAR-TRE-9d18ae8c-40
0.390
MAR-TRE-be9ff7d2-65
0.384
MAR-TRE-8190bb11-36
0.377
MAR-TRE-8190bb11-62
0.373
MAR-TRE-8190bb11-85
0.370
MAR-TRE-9d18ae8c-85
0.368
MAR-TRE-8190bb11-72
0.364
MAR-TRE-8190bb11-58
0.362
MAR-TRE-8190bb11-78
0.359
MAR-TRE-be9ff7d2-28
0.358
MAR-TRE-4f781e27-73
0.355
MAR-TRE-c317dd82-76
0.354
MAR-TRE-92684b97-83
0.354
MAR-TRE-9d18ae8c-21
0.351
MAR-TRE-4f781e27-45
0.350
MAR-TRE-4f781e27-71
0.349
MAR-TRE-be9ff7d2-36
0.347
MAR-TRE-92684b97-63
0.347
MAR-TRE-e82e6c98-15
0.347
MAR-TRE-e82e6c98-55
0.333
MAR-TRE-92684b97-54
0.333
MAR-TRE-4f781e27-26
0.333
MAR-TRE-a9136c7b-45
0.333
MAR-TRE-66ac689e-88
0.333
MAR-TRE-66ac689e-71
0.329
MAR-TRE-e82e6c98-71
0.329
MAR-TRE-4f781e27-17
0.329
MAR-TRE-9d18ae8c-51
0.326
MAR-TRE-799db12b-44
0.325
MAR-TRE-799db12b-80
0.325
MAR-TRE-4f781e27-86
0.325
MAR-TRE-92684b97-71
0.325
MAR-TRE-9d18ae8c-33
0.325
MAR-TRE-66ac689e-95
0.325
MAR-TRE-4f781e27-46
0.325
MAR-TRE-c317dd82-48
0.324
MAR-TRE-92684b97-78
0.324
MAR-TRE-92684b97-82
0.321
MAR-TRE-8190bb11-89
0.321
MAR-TRE-4f781e27-56
0.321
MAR-TRE-799db12b-10
0.321
MAR-TRE-66ac689e-80
0.321
MAR-TRE-e82e6c98-1
0.321
MAR-TRE-e82e6c98-16
0.321
MAR-TRE-799db12b-46
0.321
MAR-TRE-4f781e27-14
0.321
MAR-TRE-92684b97-34
0.321
MAR-TRE-92684b97-35
0.321
MAR-TRE-8190bb11-38
0.318
MAR-TRE-be9ff7d2-15
0.317
MAR-TRE-4f781e27-16
0.317
MAR-TRE-799db12b-32
0.317
MAR-TRE-8190bb11-49
0.317
MAR-TRE-8190bb11-77
0.317
MAR-TRE-e82e6c98-39
0.316
MAR-TRE-92684b97-40
0.316
MAR-TRE-8190bb11-70
0.314
MAR-TRE-799db12b-5
0.313
MAR-TRE-799db12b-50
0.313
MAR-TRE-be9ff7d2-83
0.312
MAR-TRE-66ac689e-18
0.312
MAR-TRE-a9136c7b-92
0.312
MAR-TRE-c317dd82-82
0.312
MAR-TRE-4f781e27-5
0.312
MAR-TRE-e82e6c98-68
0.312
MAR-TRE-799db12b-78
0.310
MAR-TRE-92684b97-47
0.310
MAR-TRE-a9136c7b-49
0.310
MAR-TRE-799db12b-77
0.310
MAR-TRE-799db12b-70
0.310
MAR-TRE-92684b97-11
0.309
MAR-TRE-e82e6c98-77
0.308
MAR-TRE-92684b97-66
0.308
MAR-TRE-92684b97-68
0.307
MAR-TRE-4f781e27-80
0.306
MAR-TRE-c317dd82-90
0.306
MAR-TRE-92684b97-91
0.306
MAR-TRE-799db12b-94
0.305
MAR-TRE-66ac689e-93
0.305
MAR-TRE-c317dd82-94
0.305
MAR-TRE-66ac689e-57
0.304
MAR-TRE-8190bb11-42
0.304