Molecular Properties | |
SMILES: | CC(=O)NC(CCC(=O)NC(=O)c1cncnc1)C(=O)O |
MW: | 294.1 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 138.35 |
cLogP: | -0.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
Long aliphatic chain
MAR-TRE-c317dd82-21
0.533
MAR-TRE-66ac689e-9
0.514
MAR-TRE-66ac689e-15
0.423
MAR-TRE-4f781e27-39
0.420
MAR-TRE-92684b97-41
0.414
MAR-TRE-be9ff7d2-25
0.414
MAR-TRE-e82e6c98-7
0.406
MAR-TRE-e82e6c98-100
0.403
MAR-TRE-e82e6c98-30
0.391
MAR-TRE-be9ff7d2-44
0.384
MAR-TRE-be9ff7d2-47
0.382
MAR-TRE-4f781e27-57
0.380
MAR-TRE-be9ff7d2-94
0.371
MAR-TRE-4f781e27-24
0.370
MAR-TRE-be9ff7d2-93
0.368
MAR-TRE-8190bb11-43
0.367
MAR-TRE-92684b97-66
0.366
MAR-TRE-c317dd82-39
0.364
MAR-TRE-be9ff7d2-74
0.362
MAR-TRE-8190bb11-48
0.361
MAR-TRE-e82e6c98-52
0.359
MAR-TRE-66ac689e-81
0.355
MAR-TRE-c317dd82-64
0.354
MAR-TRE-9d18ae8c-59
0.352
MAR-TRE-66ac689e-38
0.351
MAR-TRE-8190bb11-97
0.351
MAR-TRE-e82e6c98-20
0.351
MAR-TRE-e82e6c98-19
0.351
MAR-TRE-e82e6c98-79
0.351
MAR-TRE-66ac689e-87
0.350
MAR-TRE-92684b97-5
0.350
MAR-TRE-c317dd82-96
0.347
MAR-TRE-e82e6c98-77
0.347
MAR-TRE-be9ff7d2-16
0.347
MAR-TRE-c317dd82-66
0.346
MAR-TRE-e82e6c98-94
0.343
MAR-TRE-be9ff7d2-38
0.342
MAR-TRE-66ac689e-28
0.342
MAR-TRE-4f781e27-56
0.342
MAR-TRE-a9136c7b-67
0.342
MAR-TRE-9d18ae8c-96
0.338
MAR-TRE-799db12b-95
0.338
MAR-TRE-8190bb11-11
0.338
MAR-TRE-8190bb11-49
0.338
MAR-TRE-be9ff7d2-84
0.338
MAR-TRE-c317dd82-95
0.337
MAR-TRE-799db12b-50
0.333
MAR-TRE-4f781e27-29
0.333
MAR-TRE-e82e6c98-71
0.333
MAR-TRE-66ac689e-48
0.333
MAR-TRE-8190bb11-72
0.333
MAR-TRE-c317dd82-41
0.333
MAR-TRE-be9ff7d2-61
0.333
MAR-TRE-92684b97-8
0.329
MAR-TRE-a9136c7b-18
0.329
MAR-TRE-8190bb11-17
0.329
MAR-TRE-8190bb11-52
0.329
MAR-TRE-4f781e27-93
0.329
MAR-TRE-be9ff7d2-71
0.329
MAR-TRE-799db12b-56
0.329
MAR-TRE-be9ff7d2-50
0.329
MAR-TRE-be9ff7d2-97
0.329
MAR-TRE-e82e6c98-22
0.329
MAR-TRE-92684b97-87
0.329
MAR-TRE-92684b97-50
0.329
MAR-TRE-92684b97-56
0.329
MAR-TRE-c317dd82-48
0.329
MAR-TRE-a9136c7b-8
0.326
MAR-TRE-92684b97-98
0.325
MAR-TRE-9d18ae8c-23
0.325
MAR-TRE-9d18ae8c-80
0.325
MAR-TRE-a9136c7b-93
0.325
MAR-TRE-66ac689e-72
0.325
MAR-TRE-c317dd82-54
0.325
MAR-TRE-66ac689e-57
0.324
MAR-TRE-e82e6c98-80
0.324
MAR-TRE-c317dd82-60
0.321
MAR-TRE-66ac689e-45
0.321
MAR-TRE-e82e6c98-12
0.321
MAR-TRE-799db12b-32
0.321
MAR-TRE-799db12b-38
0.321
MAR-TRE-66ac689e-51
0.321
MAR-TRE-be9ff7d2-68
0.321
MAR-TRE-92684b97-80
0.320
MAR-TRE-9d18ae8c-21
0.320
MAR-TRE-9d18ae8c-64
0.320
MAR-TRE-8190bb11-47
0.320
MAR-TRE-92684b97-51
0.320
MAR-TRE-8190bb11-91
0.319
MAR-TRE-e82e6c98-70
0.319
MAR-TRE-8190bb11-23
0.318
MAR-TRE-8190bb11-35
0.318
MAR-TRE-92684b97-97
0.318
MAR-TRE-66ac689e-19
0.318
MAR-TRE-c317dd82-83
0.318
MAR-TRE-85681e92-57
0.317
MAR-TRE-c317dd82-61
0.317
MAR-TRE-be9ff7d2-21
0.317
MAR-TRE-c317dd82-57
0.316
MAR-TRE-be9ff7d2-86
0.316