Molecular Properties | |
SMILES: | O=C(NC(=O)C1COC2(CCNCC2)C1)c1cncnc1 |
MW: | 290.14 |
Fraction sp3: | 0.57 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 93.21 |
cLogP: | -0.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
MAR-TRE-8190bb11-79
0.514
MAR-TRE-c317dd82-99
0.453
MAR-TRE-c317dd82-9
0.440
MAR-TRE-be9ff7d2-74
0.408
MAR-TRE-a9136c7b-44
0.407
MAR-TRE-e82e6c98-94
0.389
MAR-TRE-92684b97-79
0.383
MAR-TRE-c317dd82-30
0.373
MAR-TRE-e82e6c98-73
0.363
MAR-TRE-92684b97-38
0.354
MAR-TRE-c317dd82-54
0.350
MAR-TRE-92684b97-61
0.349
MAR-TRE-66ac689e-96
0.349
MAR-TRE-c317dd82-64
0.345
MAR-TRE-c317dd82-57
0.341
MAR-TRE-e82e6c98-59
0.341
MAR-TRE-c317dd82-15
0.329
MAR-TRE-e82e6c98-99
0.329
MAR-TRE-be9ff7d2-25
0.329
MAR-TRE-c317dd82-72
0.326
MAR-TRE-c317dd82-61
0.326
MAR-TRE-be9ff7d2-94
0.325
MAR-TRE-e82e6c98-81
0.321
MAR-TRE-c317dd82-18
0.321
MAR-TRE-be9ff7d2-44
0.321
MAR-TRE-92684b97-52
0.321
MAR-TRE-4f781e27-21
0.321
MAR-TRE-4f781e27-41
0.321
MAR-TRE-be9ff7d2-87
0.319
MAR-TRE-e82e6c98-17
0.318
MAR-TRE-c317dd82-4
0.318
MAR-TRE-4f781e27-22
0.317
MAR-TRE-c317dd82-53
0.316
MAR-TRE-9d18ae8c-31
0.312
MAR-TRE-c317dd82-98
0.312
MAR-TRE-e82e6c98-44
0.310
MAR-TRE-c317dd82-40
0.310
MAR-TRE-c317dd82-17
0.309
MAR-TRE-e82e6c98-83
0.309
MAR-TRE-9d18ae8c-95
0.308
MAR-TRE-c317dd82-33
0.307
MAR-TRE-be9ff7d2-71
0.307
MAR-TRE-c317dd82-21
0.307
MAR-TRE-be9ff7d2-72
0.305
MAR-TRE-e82e6c98-7
0.304
MAR-TRE-e82e6c98-72
0.300
MAR-TRE-be9ff7d2-38
0.300
MAR-TRE-9d18ae8c-71
0.300
MAR-TRE-92684b97-57
0.299
MAR-TRE-be9ff7d2-22
0.298
MAR-TRE-8190bb11-41
0.298
MAR-TRE-e82e6c98-55
0.296
MAR-TRE-8190bb11-65
0.296
MAR-TRE-e82e6c98-40
0.295
MAR-TRE-e82e6c98-36
0.295
MAR-TRE-c317dd82-77
0.294
MAR-TRE-92684b97-19
0.294
MAR-TRE-9d18ae8c-96
0.293
MAR-TRE-4f781e27-33
0.293
MAR-TRE-c317dd82-73
0.293
MAR-TRE-8190bb11-39
0.292
MAR-TRE-9d18ae8c-76
0.291
MAR-TRE-e82e6c98-30
0.291
MAR-TRE-be9ff7d2-52
0.290
MAR-TRE-8190bb11-75
0.290
MAR-TRE-be9ff7d2-69
0.289
MAR-TRE-be9ff7d2-76
0.289
MAR-TRE-e82e6c98-48
0.289
MAR-TRE-4f781e27-64
0.289
MAR-TRE-9d18ae8c-23
0.289
MAR-TRE-a9136c7b-99
0.289
MAR-TRE-be9ff7d2-88
0.287
MAR-TRE-92684b97-66
0.287
MAR-TRE-be9ff7d2-30
0.287
MAR-TRE-c317dd82-68
0.286
MAR-TRE-e82e6c98-1
0.286
MAR-TRE-66ac689e-28
0.286
MAR-TRE-9d18ae8c-39
0.286
MAR-TRE-4f781e27-13
0.284
MAR-TRE-c317dd82-2
0.283
MAR-TRE-8190bb11-2
0.281
MAR-TRE-9d18ae8c-15
0.280
MAR-TRE-c317dd82-8
0.280
MAR-TRE-a9136c7b-7
0.280
MAR-TRE-c317dd82-86
0.279
MAR-TRE-e82e6c98-34
0.279
MAR-TRE-66ac689e-2
0.279
MAR-TRE-c317dd82-34
0.279
MAR-TRE-e82e6c98-41
0.278
MAR-TRE-799db12b-95
0.278
MAR-TRE-9d18ae8c-44
0.278
MAR-TRE-66ac689e-38
0.277
MAR-TRE-c317dd82-82
0.277
MAR-TRE-e82e6c98-71
0.277
MAR-TRE-a9136c7b-43
0.277
MAK-UNK-748f8b7a-14
0.274
MAR-TRE-92684b97-95
0.274
MAR-TRE-be9ff7d2-56
0.273
MAR-TRE-a9136c7b-72
0.273
MAR-TRE-66ac689e-5
0.273