Molecular Properties | |
SMILES: | O=C(NC(=O)C1CCCN(C(=O)C2CCNCC2)C1)c1cncnc1 |
MW: | 345.18 |
Fraction sp3: | 0.59 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 104.29 |
cLogP: | -0.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
MAR-TRE-c317dd82-30
0.553
MAR-TRE-c317dd82-9
0.418
MAR-TRE-c317dd82-93
0.407
MAR-TRE-be9ff7d2-74
0.405
MAR-TRE-8190bb11-79
0.398
MAR-TRE-e82e6c98-94
0.387
MAR-TRE-c317dd82-99
0.378
MAR-TRE-e82e6c98-59
0.372
MAR-TRE-66ac689e-60
0.371
MAR-TRE-92684b97-79
0.365
MAR-TRE-a9136c7b-99
0.364
MAR-TRE-4f781e27-41
0.354
MAR-TRE-be9ff7d2-38
0.350
MAR-TRE-c317dd82-54
0.349
MAR-TRE-92684b97-61
0.349
MAR-TRE-c317dd82-98
0.346
MAR-TRE-c317dd82-15
0.345
MAR-TRE-c317dd82-57
0.341
MAR-TRE-c317dd82-72
0.341
MAR-TRE-be9ff7d2-44
0.337
MAR-TRE-92684b97-38
0.337
MAR-TRE-be9ff7d2-71
0.337
MAR-TRE-e82e6c98-73
0.333
MAR-TRE-c317dd82-64
0.330
MAR-TRE-be9ff7d2-25
0.329
MAR-TRE-c317dd82-2
0.326
MAR-TRE-c317dd82-61
0.326
MAR-TRE-be9ff7d2-94
0.325
MAR-TRE-c317dd82-17
0.323
MAR-TRE-9d18ae8c-44
0.322
MAR-TRE-be9ff7d2-42
0.321
MAR-TRE-be9ff7d2-88
0.321
MAR-TRE-be9ff7d2-87
0.319
MAR-TRE-e82e6c98-17
0.319
MAR-TRE-9d18ae8c-23
0.319
MAR-TRE-be9ff7d2-14
0.318
MAR-TRE-66ac689e-96
0.318
MAR-TRE-799db12b-29
0.318
MAR-TRE-c317dd82-78
0.316
MAR-TRE-c317dd82-71
0.315
MAR-TRE-e82e6c98-25
0.312
MAR-TRE-799db12b-65
0.312
MAR-TRE-799db12b-70
0.307
MAR-TRE-4f781e27-64
0.306
MAR-TRE-9d18ae8c-16
0.305
MAR-TRE-e82e6c98-7
0.305
MAR-TRE-799db12b-89
0.303
MAR-TRE-3159af1a-61
0.302
MAR-TRE-a9136c7b-72
0.300
MAR-TRE-799db12b-52
0.300
MAR-TRE-4f781e27-65
0.300
MAR-TRE-c317dd82-80
0.300
MAR-TRE-92684b97-57
0.300
MAR-TRE-92684b97-20
0.299
MAR-TRE-799db12b-14
0.298
MAR-TRE-8190bb11-61
0.298
MAR-TRE-9d18ae8c-34
0.298
MAR-TRE-a9136c7b-64
0.297
MAR-TRE-4f781e27-38
0.297
MAR-TRE-e82e6c98-24
0.295
MAR-TRE-c317dd82-6
0.292
MAR-TRE-c317dd82-39
0.292
MAR-TRE-7f7bb9f0-54
0.292
MAR-TRE-c317dd82-41
0.291
MAR-TRE-e82e6c98-65
0.291
MAR-TRE-be9ff7d2-99
0.290
MAR-TRE-92684b97-66
0.289
MAR-TRE-66ac689e-9
0.289
MAR-TRE-92684b97-83
0.287
MAR-TRE-66ac689e-28
0.287
MAR-TRE-be9ff7d2-95
0.287
MAR-TRE-e82e6c98-72
0.286
MAR-TRE-e82e6c98-98
0.286
MAR-TRE-a9136c7b-89
0.286
MAR-TRE-c317dd82-44
0.286
MAR-TRE-66ac689e-26
0.284
MAR-TRE-4f781e27-90
0.284
MAR-TRE-be9ff7d2-47
0.284
MAK-UNK-748f8b7a-7
0.284
MAR-TRE-8190bb11-43
0.283
MAR-TRE-9d18ae8c-78
0.282
MAK-UNK-748f8b7a-15
0.282
MAR-TRE-66ac689e-2
0.281
MAR-TRE-9d18ae8c-57
0.281
MAR-TRE-e82e6c98-63
0.280
MAR-TRE-8190bb11-39
0.280
MAR-TRE-c317dd82-73
0.279
MAR-TRE-e82e6c98-19
0.279
MAR-TRE-c317dd82-82
0.279
MAR-TRE-9d18ae8c-96
0.278
MAR-TRE-e82e6c98-69
0.278
MAR-TRE-9d18ae8c-76
0.277
MAR-TRE-e82e6c98-30
0.277
MAK-UNK-748f8b7a-14
0.276
MAR-TRE-e82e6c98-22
0.276
MAR-TRE-e82e6c98-48
0.276
MAR-TRE-799db12b-17
0.276
MAR-TRE-c317dd82-21
0.275
MAR-TRE-66ac689e-21
0.275
MAR-TRE-e82e6c98-8
0.275