Molecular Properties | |
SMILES: | O=C(NC(=O)C1CCC(C(=O)O)O1)c1cncnc1 |
MW: | 265.07 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 118.48 |
cLogP: | -0.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
MAR-TRE-e82e6c98-94
0.475
MAR-TRE-c317dd82-17
0.463
MAR-TRE-c317dd82-9
0.441
MAR-TRE-66ac689e-96
0.437
MAR-TRE-92684b97-38
0.426
MAR-TRE-c317dd82-93
0.408
MAR-TRE-a9136c7b-44
0.405
MAR-TRE-be9ff7d2-38
0.403
MAR-TRE-c317dd82-54
0.400
MAR-TRE-92684b97-61
0.397
MAR-TRE-c317dd82-99
0.394
MAR-TRE-c317dd82-64
0.392
MAR-TRE-c317dd82-57
0.389
MAR-TRE-c317dd82-30
0.387
MAR-TRE-e82e6c98-59
0.387
MAR-TRE-92684b97-79
0.378
MAR-TRE-8190bb11-79
0.378
MAR-TRE-e82e6c98-17
0.377
MAR-TRE-c317dd82-15
0.373
MAR-TRE-c317dd82-61
0.368
MAR-TRE-c317dd82-72
0.368
MAR-TRE-e82e6c98-72
0.362
MAR-TRE-c317dd82-98
0.358
MAR-TRE-e82e6c98-73
0.357
MAR-TRE-c317dd82-21
0.354
MAR-TRE-e82e6c98-30
0.353
MAR-TRE-be9ff7d2-94
0.353
MAR-TRE-66ac689e-60
0.350
MAR-TRE-92684b97-52
0.348
MAR-TRE-66ac689e-15
0.347
MAR-TRE-be9ff7d2-14
0.342
MAR-TRE-be9ff7d2-87
0.341
MAR-TRE-9d18ae8c-96
0.338
MAR-TRE-be9ff7d2-25
0.338
MAR-TRE-8190bb11-56
0.338
MAR-TRE-9d18ae8c-76
0.333
MAR-TRE-c317dd82-83
0.333
MAR-TRE-be9ff7d2-71
0.329
MAR-TRE-be9ff7d2-44
0.329
MAR-TRE-be9ff7d2-69
0.329
MAR-TRE-be9ff7d2-72
0.329
MAR-TRE-92684b97-66
0.329
MAR-TRE-4f781e27-41
0.329
MAR-TRE-9d18ae8c-23
0.325
MAR-TRE-be9ff7d2-19
0.324
MAR-TRE-be9ff7d2-47
0.324
MAR-TRE-c317dd82-88
0.324
MAR-TRE-92684b97-57
0.324
MAR-TRE-c317dd82-78
0.321
MAR-TRE-c317dd82-85
0.321
MAR-TRE-4f781e27-13
0.321
MAR-TRE-92684b97-45
0.321
MAR-TRE-c317dd82-71
0.321
MAR-TRE-92684b97-20
0.320
MAR-TRE-799db12b-95
0.319
MAR-TRE-c317dd82-50
0.317
MAR-TRE-8190bb11-43
0.316
MAR-TRE-92684b97-36
0.316
MAR-TRE-e82e6c98-79
0.316
MAR-TRE-9d18ae8c-57
0.316
MAR-TRE-c317dd82-73
0.315
MAR-TRE-c317dd82-82
0.315
MAR-TRE-9d18ae8c-88
0.315
MAR-TRE-9d18ae8c-95
0.314
MAR-TRE-c317dd82-41
0.313
MAR-TRE-e82e6c98-24
0.313
MAR-TRE-a9136c7b-85
0.313
MAR-TRE-9d18ae8c-32
0.312
MAR-TRE-4f781e27-64
0.311
MAR-TRE-e82e6c98-48
0.311
MAR-TRE-e82e6c98-22
0.311
MAR-TRE-e82e6c98-81
0.311
MAR-TRE-c317dd82-49
0.310
MAR-TRE-4f781e27-21
0.310
MAR-TRE-be9ff7d2-88
0.310
MAR-TRE-e82e6c98-7
0.310
MAR-TRE-c317dd82-68
0.309
MAR-TRE-9d18ae8c-39
0.309
MAR-TRE-a9136c7b-99
0.309
MAR-TRE-92684b97-100
0.308
MAR-TRE-e82e6c98-61
0.308
MAR-TRE-c317dd82-4
0.308
MAR-TRE-be9ff7d2-12
0.308
MAR-TRE-be9ff7d2-35
0.308
MAR-TRE-e82e6c98-8
0.308
MAR-TRE-92684b97-7
0.307
MAR-TRE-92684b97-83
0.307
MAR-TRE-4f781e27-39
0.306
MAR-TRE-c317dd82-53
0.306
MAR-TRE-9d18ae8c-61
0.304
MAR-TRE-c317dd82-80
0.304
MAR-TRE-e82e6c98-2
0.304
MAR-TRE-c317dd82-44
0.304
MAR-TRE-be9ff7d2-29
0.304
MAR-TRE-9d18ae8c-38
0.304
MAR-TRE-a9136c7b-72
0.303
MAR-TRE-8190bb11-41
0.303
MAR-TRE-4f781e27-90
0.303
MAR-TRE-8190bb11-65
0.301
MAR-TRE-9d18ae8c-15
0.301