Molecular Properties | |
SMILES: | CC(=O)NC(CC(=O)O)C(=O)NC(=O)c1cncnc1 |
MW: | 280.08 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 138.35 |
cLogP: | -1.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
Long aliphatic chain
Dipeptide
MAR-TRE-e82e6c98-72
0.533
MAR-TRE-9d18ae8c-59
0.406
MAR-TRE-92684b97-56
0.400
MAR-TRE-92684b97-66
0.400
MAR-TRE-e82e6c98-100
0.397
MAR-TRE-c317dd82-66
0.392
MAR-TRE-e82e6c98-70
0.391
MAR-TRE-9d18ae8c-21
0.388
MAR-TRE-66ac689e-18
0.382
MAR-TRE-be9ff7d2-93
0.380
MAR-TRE-e82e6c98-7
0.379
MAR-TRE-85681e92-57
0.375
MAR-TRE-be9ff7d2-47
0.375
MAR-TRE-8190bb11-48
0.373
MAR-TRE-4f781e27-39
0.373
MAR-TRE-92684b97-86
0.371
MAR-TRE-9d18ae8c-97
0.371
MAR-TRE-92684b97-41
0.368
MAR-TRE-8190bb11-11
0.368
MAR-TRE-e82e6c98-30
0.364
MAR-TRE-be9ff7d2-94
0.364
MAR-TRE-e82e6c98-20
0.362
MAR-TRE-8190bb11-97
0.362
MAR-TRE-4f781e27-29
0.362
MAR-TRE-66ac689e-41
0.362
MAR-TRE-4f781e27-24
0.362
MAR-TRE-799db12b-50
0.361
MAR-TRE-c317dd82-48
0.359
MAR-TRE-66ac689e-15
0.357
MAR-TRE-be9ff7d2-44
0.357
MAR-TRE-a9136c7b-49
0.356
MAR-TRE-66ac689e-97
0.356
MAR-TRE-be9ff7d2-50
0.356
MAR-TRE-4f781e27-57
0.355
MAR-TRE-be9ff7d2-74
0.354
MAR-TRE-66ac689e-57
0.353
MAR-TRE-4f781e27-28
0.352
MAR-TRE-c317dd82-94
0.352
MAR-TRE-e82e6c98-52
0.351
MAR-TRE-799db12b-95
0.348
MAR-TRE-9d18ae8c-64
0.348
MAR-TRE-8190bb11-47
0.348
MAR-TRE-be9ff7d2-25
0.348
MAR-TRE-8190bb11-49
0.347
MAR-TRE-e82e6c98-13
0.347
MAR-TRE-be9ff7d2-84
0.347
MAR-TRE-c317dd82-95
0.346
MAR-TRE-c317dd82-41
0.344
MAR-TRE-e82e6c98-27
0.343
MAR-TRE-e82e6c98-71
0.343
MAR-TRE-66ac689e-38
0.343
MAR-TRE-8190bb11-72
0.343
MAR-TRE-a9136c7b-55
0.342
MAR-TRE-92684b97-78
0.338
MAR-TRE-92684b97-50
0.338
MAR-TRE-e82e6c98-77
0.338
MAR-TRE-92684b97-87
0.338
MAR-TRE-be9ff7d2-48
0.338
MAR-TRE-66ac689e-95
0.338
MAR-TRE-92684b97-71
0.338
MAR-TRE-be9ff7d2-16
0.338
MAR-TRE-a9136c7b-18
0.338
MAR-TRE-be9ff7d2-38
0.333
MAR-TRE-66ac689e-9
0.333
MAR-TRE-66ac689e-72
0.333
MAR-TRE-66ac689e-92
0.333
MAR-TRE-4f781e27-56
0.333
MAR-TRE-9d18ae8c-80
0.333
MAR-TRE-9d18ae8c-40
0.333
MAR-TRE-66ac689e-80
0.333
MAR-TRE-799db12b-46
0.333
MAR-TRE-c317dd82-19
0.333
MAR-TRE-e82e6c98-94
0.333
MAR-TRE-a9136c7b-50
0.329
MAR-TRE-799db12b-32
0.329
MAR-TRE-66ac689e-81
0.329
MAR-TRE-799db12b-38
0.329
MAR-TRE-be9ff7d2-45
0.329
MAR-TRE-be9ff7d2-68
0.329
MAR-TRE-92684b97-51
0.329
MAR-TRE-9d18ae8c-87
0.329
MAR-TRE-9d18ae8c-73
0.329
MAR-TRE-4f781e27-25
0.329
MAR-TRE-92684b97-80
0.329
MAR-TRE-9d18ae8c-89
0.329
MAR-TRE-8190bb11-91
0.328
MAR-TRE-9d18ae8c-96
0.328
MAR-TRE-66ac689e-87
0.325
MAR-TRE-92684b97-5
0.325
MAR-TRE-9d18ae8c-50
0.325
MAR-TRE-9d18ae8c-47
0.324
MAR-TRE-66ac689e-48
0.324
MAR-TRE-be9ff7d2-61
0.324
MAR-TRE-be9ff7d2-86
0.324
MAR-TRE-4f781e27-44
0.324
MAR-TRE-c317dd82-36
0.324
MAR-TRE-e82e6c98-34
0.324
MAR-TRE-e82e6c98-56
0.324
MAR-TRE-e82e6c98-79
0.324
MAR-TRE-799db12b-23
0.324