Molecular Properties | |
SMILES: | O=C(NC(C(=O)Nc1cc[nH]n1)c1ccccc1)c1cncnc1 |
MW: | 322.12 |
Fraction sp3: | 0.06 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 112.66 |
cLogP: | 1.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
MAR-TRE-8190bb11-14
0.611
MAR-TRE-66ac689e-61
0.450
MAR-TRE-8190bb11-48
0.427
MAR-TRE-92684b97-17
0.427
MAR-TRE-8190bb11-28
0.427
MAR-TRE-8190bb11-71
0.413
MAR-TRE-8190bb11-59
0.408
MAR-TRE-92684b97-35
0.408
MAR-TRE-8190bb11-91
0.405
MAR-TRE-66ac689e-93
0.405
MAR-TRE-4f781e27-14
0.405
MAR-TRE-8190bb11-11
0.403
MAR-TRE-8190bb11-6
0.402
MAR-TRE-799db12b-79
0.400
MAR-TRE-e82e6c98-30
0.400
MAR-TRE-8190bb11-10
0.400
MAR-TRE-9d18ae8c-99
0.395
MAR-TRE-92684b97-27
0.395
MAR-TRE-92684b97-50
0.395
MAR-TRE-9d18ae8c-67
0.392
MAR-TRE-799db12b-55
0.388
MAR-TRE-9d18ae8c-28
0.388
MAR-TRE-799db12b-95
0.387
MAR-TRE-9d18ae8c-85
0.385
MAR-TRE-c317dd82-41
0.384
MAR-TRE-8190bb11-56
0.383
MAR-TRE-4f781e27-45
0.383
MAR-TRE-92684b97-32
0.379
MAR-TRE-66ac689e-84
0.378
MAR-TRE-4f781e27-40
0.375
MAR-TRE-4f781e27-86
0.375
MAR-TRE-be9ff7d2-97
0.373
MAR-TRE-4f781e27-51
0.373
MAR-TRE-8190bb11-93
0.372
MAR-TRE-4f781e27-4
0.369
MAR-TRE-9d18ae8c-9
0.368
MAR-TRE-92684b97-51
0.367
MAR-TRE-92684b97-80
0.367
MAR-TRE-9d18ae8c-64
0.367
MAR-TRE-9d18ae8c-60
0.365
MAR-TRE-799db12b-96
0.362
MAR-TRE-799db12b-23
0.362
MAR-TRE-799db12b-61
0.362
MAR-TRE-8190bb11-54
0.362
MAR-TRE-9d18ae8c-8
0.361
MAR-TRE-9d18ae8c-24
0.360
MAR-TRE-8190bb11-25
0.357
MAR-TRE-8190bb11-90
0.356
MAR-TRE-66ac689e-57
0.354
MAR-TRE-66ac689e-72
0.354
MAR-TRE-66ac689e-92
0.353
MAR-TRE-9d18ae8c-80
0.353
MAR-TRE-a9136c7b-66
0.350
MAR-TRE-9d18ae8c-59
0.346
MAR-TRE-66ac689e-18
0.346
MAR-TRE-92684b97-77
0.346
MAR-TRE-66ac689e-41
0.346
MAR-TRE-be9ff7d2-86
0.345
MAR-TRE-66ac689e-71
0.345
MAR-TRE-799db12b-50
0.345
MAR-TRE-9d18ae8c-17
0.345
MAR-TRE-9d18ae8c-26
0.344
MAR-TRE-8190bb11-35
0.344
MAR-TRE-799db12b-91
0.342
MAR-TRE-a9136c7b-36
0.341
MAR-TRE-799db12b-47
0.341
MAR-TRE-be9ff7d2-64
0.341
MAR-TRE-66ac689e-97
0.341
MAR-TRE-a9136c7b-70
0.341
MAR-TRE-be9ff7d2-47
0.338
MAR-TRE-92684b97-86
0.337
MAR-TRE-a9136c7b-93
0.337
MAR-TRE-be9ff7d2-68
0.333
MAR-TRE-799db12b-32
0.333
MAR-TRE-66ac689e-52
0.333
MAR-TRE-66ac689e-68
0.333
BEN-DND-93268d01-1
0.333
MAR-TRE-66ac689e-98
0.333
MAR-TRE-92684b97-99
0.333
MAR-TRE-92684b97-41
0.333
MAR-TRE-92684b97-85
0.333
BEN-DND-03406596-4
0.333
MAR-TRE-4f781e27-49
0.333
BEN-DND-03406596-11
0.333
BEN-DND-03406596-12
0.333
MAR-TRE-e82e6c98-70
0.333
MAR-TRE-a9136c7b-91
0.333
MAR-TRE-9d18ae8c-62
0.330
MAR-TRE-92684b97-18
0.330
MAR-TRE-9d18ae8c-50
0.330
MAR-TRE-8190bb11-67
0.330
MAR-TRE-66ac689e-27
0.329
MAR-TRE-be9ff7d2-3
0.329
MAR-TRE-9d18ae8c-88
0.329
MAR-TRE-66ac689e-62
0.329
MAR-TRE-92684b97-63
0.329
MAR-TRE-4f781e27-70
0.329
MAR-TRE-e82e6c98-43
0.329
MAR-TRE-9d18ae8c-91
0.326
MAR-TRE-799db12b-78
0.326