Molecular Properties | |
SMILES: | O=C(NC(=O)C1CCOC1C1CCNCC1)c1cncnc1 |
MW: | 304.15 |
Fraction sp3: | 0.6 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 93.21 |
cLogP: | 0.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
MAR-TRE-e82e6c98-94
0.485
MAR-TRE-e82e6c98-59
0.455
MAR-TRE-be9ff7d2-74
0.441
MAR-TRE-c317dd82-93
0.440
MAR-TRE-c317dd82-54
0.432
MAR-TRE-92684b97-38
0.419
MAR-TRE-c317dd82-30
0.418
MAR-TRE-a9136c7b-44
0.418
MAR-TRE-c317dd82-64
0.405
MAR-TRE-c317dd82-57
0.403
MAR-TRE-c317dd82-15
0.388
MAR-TRE-e82e6c98-73
0.386
MAR-TRE-c317dd82-61
0.383
MAR-TRE-c317dd82-72
0.383
MAR-TRE-8190bb11-79
0.375
MAR-TRE-c317dd82-98
0.375
MAR-TRE-4f781e27-41
0.365
MAR-TRE-92684b97-61
0.358
MAR-TRE-9d18ae8c-23
0.357
MAR-TRE-be9ff7d2-87
0.356
MAR-TRE-c317dd82-99
0.354
MAR-TRE-c317dd82-17
0.344
MAR-TRE-66ac689e-96
0.341
MAR-TRE-e82e6c98-17
0.341
MAR-TRE-e82e6c98-10
0.333
MAR-TRE-be9ff7d2-71
0.329
MAR-TRE-e82e6c98-81
0.329
MAR-TRE-a9136c7b-99
0.326
MAR-TRE-92684b97-79
0.325
MAR-TRE-c317dd82-71
0.321
MAR-TRE-a9136c7b-72
0.319
MAR-TRE-e82e6c98-34
0.317
MAR-TRE-e82e6c98-71
0.316
MAR-TRE-be9ff7d2-94
0.316
MAR-TRE-c317dd82-21
0.315
MAR-TRE-9d18ae8c-44
0.314
MAR-TRE-e82e6c98-53
0.314
MAR-TRE-a9136c7b-96
0.314
MAR-TRE-be9ff7d2-44
0.312
MAR-TRE-be9ff7d2-69
0.312
MAR-TRE-be9ff7d2-88
0.312
MAR-TRE-be9ff7d2-38
0.308
MAR-TRE-799db12b-7
0.306
MAR-TRE-be9ff7d2-25
0.304
MAR-TRE-c317dd82-2
0.303
MAR-TRE-66ac689e-60
0.303
MAR-TRE-c317dd82-32
0.301
MAR-TRE-c317dd82-73
0.300
MAR-TRE-c317dd82-82
0.300
MAR-TRE-8190bb11-39
0.299
MAR-TRE-9d18ae8c-76
0.299
MAR-TRE-c317dd82-49
0.298
MAR-TRE-4f781e27-64
0.296
MAR-TRE-c317dd82-18
0.296
MAR-TRE-c317dd82-4
0.294
MAR-TRE-be9ff7d2-19
0.293
MAR-TRE-e82e6c98-72
0.291
MAR-TRE-c317dd82-53
0.291
MAR-TRE-be9ff7d2-81
0.291
MAR-TRE-799db12b-22
0.291
MAR-TRE-e82e6c98-99
0.291
MAR-TRE-92684b97-45
0.291
MAR-TRE-92684b97-57
0.289
MAR-TRE-c317dd82-88
0.289
MAR-TRE-8190bb11-56
0.289
MAR-TRE-be9ff7d2-66
0.289
MAR-TRE-8190bb11-49
0.289
MAR-TRE-e82e6c98-86
0.289
MAR-TRE-e82e6c98-62
0.289
MAK-UNK-748f8b7a-15
0.288
MAR-TRE-e82e6c98-55
0.287
MAR-TRE-be9ff7d2-41
0.287
MAR-TRE-8190bb11-65
0.287
MAR-TRE-c317dd82-8
0.287
MAR-TRE-e82e6c98-36
0.287
MAR-TRE-e82e6c98-40
0.287
MAR-TRE-c317dd82-40
0.286
MAR-TRE-e82e6c98-79
0.286
MAR-TRE-e82e6c98-56
0.286
MAR-TRE-799db12b-53
0.286
MAR-TRE-66ac689e-2
0.286
MAR-TRE-a9136c7b-85
0.286
MAR-TRE-799db12b-92
0.286
MAR-TRE-be9ff7d2-83
0.284
MAR-TRE-66ac689e-38
0.284
MAR-TRE-9d18ae8c-88
0.284
MAR-TRE-9d18ae8c-96
0.284
MAR-TRE-c317dd82-51
0.283
MAR-TRE-a9136c7b-29
0.283
MAR-TRE-66ac689e-55
0.282
MAK-UNK-f2409524-9
0.282
MAR-TRE-9d18ae8c-95
0.282
MAR-TRE-e82e6c98-30
0.282
MAR-TRE-be9ff7d2-8
0.281
MAR-TRE-a9136c7b-17
0.281
MAR-TRE-799db12b-62
0.281
MAR-TRE-c317dd82-87
0.280
MAR-TRE-be9ff7d2-42
0.280
MAR-TRE-be9ff7d2-72
0.280
MAR-TRE-e82e6c98-48
0.280