Molecular Properties | |
SMILES: | COC(=O)C1COCCC1NC(=O)c1cncnc1 |
MW: | 265.11 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 90.41 |
cLogP: | -0.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-be9ff7d2-69
0.507
MAR-TRE-8190bb11-41
0.452
MAR-TRE-e82e6c98-56
0.427
MAR-TRE-92684b97-57
0.426
MAR-TRE-c317dd82-18
0.425
MAR-TRE-e82e6c98-86
0.420
MAR-TRE-799db12b-92
0.415
MAR-TRE-92684b97-28
0.410
MAR-TRE-a9136c7b-96
0.400
MAR-TRE-92684b97-39
0.400
MAR-TRE-be9ff7d2-22
0.395
MAR-TRE-be9ff7d2-52
0.393
MAR-TRE-c317dd82-46
0.392
MAR-TRE-c317dd82-77
0.390
MAR-TRE-e82e6c98-44
0.390
MAR-TRE-e82e6c98-65
0.387
MAR-TRE-e82e6c98-53
0.383
MAR-TRE-be9ff7d2-30
0.380
MAR-TRE-799db12b-71
0.373
MAR-TRE-799db12b-57
0.373
MAR-TRE-c317dd82-73
0.373
MAR-TRE-9d18ae8c-93
0.373
MAR-TRE-c317dd82-34
0.372
MAR-TRE-e82e6c98-34
0.372
MAR-TRE-be9ff7d2-62
0.369
MAR-TRE-e82e6c98-28
0.367
MAR-TRE-c317dd82-88
0.366
MAR-TRE-4f781e27-18
0.366
MAR-TRE-92684b97-62
0.362
MAR-TRE-c317dd82-8
0.360
MAR-TRE-8190bb11-56
0.359
MAR-TRE-be9ff7d2-81
0.358
MAR-TRE-c317dd82-44
0.358
MAR-TRE-c317dd82-65
0.356
MAR-TRE-e82e6c98-71
0.355
MAR-TRE-c317dd82-14
0.354
MAR-TRE-be9ff7d2-42
0.351
MAR-TRE-be9ff7d2-72
0.351
MAR-TRE-be9ff7d2-75
0.349
MAR-TRE-4f781e27-22
0.346
MAR-TRE-e82e6c98-55
0.342
MAR-TRE-e82e6c98-99
0.341
MAR-TRE-9d18ae8c-86
0.341
MAR-TRE-c317dd82-82
0.338
MAR-TRE-e82e6c98-79
0.338
MAR-TRE-be9ff7d2-60
0.337
MAR-TRE-e82e6c98-78
0.337
MAR-TRE-a9136c7b-86
0.337
MAR-TRE-a9136c7b-47
0.333
MAR-TRE-be9ff7d2-8
0.329
MAR-TRE-799db12b-62
0.329
MAR-TRE-a9136c7b-95
0.329
MAR-TRE-be9ff7d2-12
0.329
MAR-TRE-be9ff7d2-35
0.329
MAR-TRE-e82e6c98-1
0.329
MAR-TRE-c317dd82-9
0.329
MAR-TRE-799db12b-29
0.329
MAR-TRE-92684b97-7
0.329
MAR-TRE-be9ff7d2-29
0.325
MAR-TRE-9d18ae8c-90
0.325
MAR-TRE-92684b97-20
0.325
MAR-TRE-9d18ae8c-78
0.325
MAR-TRE-92684b97-70
0.323
MAR-TRE-be9ff7d2-78
0.322
MAR-TRE-a9136c7b-2
0.322
MAR-TRE-4f781e27-79
0.321
MAR-TRE-c317dd82-86
0.321
MAR-TRE-c317dd82-93
0.321
MAR-TRE-c317dd82-3
0.319
MAR-TRE-8190bb11-39
0.318
MAR-TRE-e82e6c98-6
0.318
MAR-TRE-8190bb11-98
0.316
MAR-TRE-c317dd82-96
0.316
MAR-TRE-be9ff7d2-88
0.316
MAR-TRE-a9136c7b-29
0.315
MAR-TRE-c317dd82-69
0.314
MAR-TRE-799db12b-31
0.313
MAR-TRE-92684b97-83
0.312
MAR-TRE-a9136c7b-63
0.311
MAR-TRE-be9ff7d2-74
0.311
MAR-TRE-799db12b-7
0.310
MAR-TRE-c317dd82-80
0.310
MAR-TRE-a9136c7b-89
0.310
MAR-TRE-9d18ae8c-38
0.310
MAR-TRE-c317dd82-99
0.309
MAR-TRE-9d18ae8c-31
0.308
MAR-TRE-92684b97-3
0.307
MAR-TRE-e82e6c98-41
0.307
MAR-TRE-e82e6c98-10
0.306
MAR-TRE-a9136c7b-64
0.306
MAR-TRE-9d18ae8c-96
0.306
MAR-TRE-c317dd82-40
0.305
MAR-TRE-c317dd82-32
0.304
MAR-TRE-c317dd82-11
0.303
MAR-TRE-e82e6c98-96
0.303
MAR-TRE-be9ff7d2-36
0.303
MAR-TRE-9d18ae8c-72
0.303
MAR-TRE-9d18ae8c-76
0.303
MAR-TRE-c317dd82-25
0.302
MAR-TRE-c317dd82-21
0.301