Molecular Properties | |
SMILES: | O=C(CN1C(=O)NC2CNCCC21)NC(=O)c1cncnc1 |
MW: | 304.13 |
Fraction sp3: | 0.46 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 116.32 |
cLogP: | -1.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
MAR-TRE-be9ff7d2-25
0.467
MAR-TRE-be9ff7d2-44
0.455
MAR-TRE-e82e6c98-7
0.403
MAR-TRE-9d18ae8c-23
0.391
MAR-TRE-e82e6c98-59
0.352
MAR-TRE-8190bb11-43
0.352
MAR-TRE-4f781e27-41
0.350
MAR-TRE-4f781e27-64
0.349
MAR-TRE-be9ff7d2-94
0.338
MAR-TRE-a9136c7b-44
0.337
MAR-TRE-c317dd82-9
0.329
MAR-TRE-e82e6c98-72
0.329
MAR-TRE-be9ff7d2-74
0.329
MAR-TRE-e82e6c98-94
0.329
MAR-TRE-a9136c7b-72
0.323
MAR-TRE-c317dd82-30
0.322
MAR-TRE-9d18ae8c-76
0.321
MAR-TRE-66ac689e-9
0.315
MAR-TRE-8190bb11-79
0.315
MAR-TRE-c317dd82-54
0.314
MAR-TRE-be9ff7d2-38
0.313
MAR-TRE-c317dd82-71
0.311
MAR-TRE-c317dd82-15
0.311
MAR-TRE-c317dd82-98
0.309
MAR-TRE-9d18ae8c-96
0.308
MAR-TRE-c317dd82-57
0.307
MAR-TRE-c317dd82-93
0.307
MAR-TRE-e82e6c98-73
0.303
MAR-TRE-92684b97-38
0.302
MAR-TRE-e82e6c98-48
0.302
MAR-TRE-be9ff7d2-87
0.302
MAR-TRE-92684b97-52
0.301
MAR-TRE-66ac689e-28
0.299
MAR-TRE-c317dd82-64
0.297
MAK-UNK-748f8b7a-7
0.296
MAR-TRE-e82e6c98-21
0.296
MAR-TRE-c317dd82-99
0.295
MAR-TRE-4f781e27-90
0.295
MAR-TRE-c317dd82-63
0.294
MAR-TRE-c317dd82-61
0.293
MAR-TRE-c317dd82-72
0.293
MAR-TRE-e82e6c98-35
0.292
MAR-TRE-e82e6c98-19
0.291
MAR-TRE-4f781e27-57
0.290
MAR-TRE-c317dd82-39
0.289
MAR-TRE-c317dd82-6
0.289
MAR-TRE-be9ff7d2-50
0.289
MAR-TRE-c317dd82-21
0.287
MAR-TRE-9d18ae8c-33
0.287
MAR-TRE-e82e6c98-65
0.287
MAR-TRE-be9ff7d2-77
0.287
MAR-TRE-e82e6c98-17
0.287
MAR-TRE-a9136c7b-95
0.287
MAR-TRE-be9ff7d2-14
0.286
MAR-TRE-be9ff7d2-88
0.286
MAR-TRE-4f781e27-21
0.286
MAR-TRE-92684b97-61
0.286
MAR-TRE-799db12b-29
0.284
MAR-TRE-be9ff7d2-19
0.284
MAR-TRE-9d18ae8c-39
0.284
MAR-TRE-c317dd82-68
0.284
MAR-TRE-e82e6c98-84
0.283
MAR-TRE-e82e6c98-5
0.283
MAR-TRE-799db12b-7
0.283
MAR-TRE-e82e6c98-80
0.282
MAR-TRE-c317dd82-17
0.282
MAR-TRE-e82e6c98-85
0.281
MAR-TRE-a9136c7b-2
0.281
MAR-TRE-a9136c7b-86
0.281
MAR-TRE-66ac689e-60
0.281
MAR-TRE-66ac689e-26
0.281
MAR-TRE-e82e6c98-12
0.281
MAR-TRE-c317dd82-88
0.280
MAR-TRE-be9ff7d2-24
0.280
MAR-TRE-be9ff7d2-46
0.280
MAR-TRE-8190bb11-65
0.279
MAR-TRE-e82e6c98-49
0.278
MAR-TRE-e82e6c98-41
0.277
MAR-TRE-a9136c7b-47
0.277
MAR-TRE-799db12b-56
0.277
MAR-TRE-8190bb11-52
0.277
MAR-TRE-9d18ae8c-44
0.277
MAR-TRE-66ac689e-38
0.276
MAR-TRE-c317dd82-51
0.276
MAR-TRE-92684b97-89
0.275
MAR-TRE-be9ff7d2-96
0.275
MAR-TRE-a9136c7b-99
0.274
MAR-TRE-e82e6c98-82
0.274
MAR-TRE-c317dd82-18
0.273
MAR-TRE-4f781e27-8
0.273
MAR-TRE-4f781e27-43
0.273
MAR-TRE-c317dd82-87
0.273
MAR-TRE-be9ff7d2-42
0.273
MAR-TRE-e82e6c98-22
0.273
MAR-TRE-a9136c7b-63
0.273
MAR-TRE-66ac689e-15
0.273
MAR-TRE-92684b97-76
0.273
MAR-TRE-c317dd82-20
0.272
MAR-TRE-92684b97-79
0.272
MAR-TRE-799db12b-89
0.272