Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)C(=O)N1CCOCC1 |
MW: | 264.12 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 84.42 |
cLogP: | -0.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-16
0.639
MAR-TRE-66ac689e-61
0.559
MAR-TRE-e82e6c98-52
0.438
MAR-TRE-c317dd82-48
0.438
MAR-TRE-c317dd82-7
0.421
MAR-TRE-be9ff7d2-12
0.419
MAR-TRE-8190bb11-7
0.419
MAK-UNK-f983951f-6
0.407
MAR-TRE-be9ff7d2-6
0.397
MAR-TRE-be9ff7d2-68
0.397
MAR-TRE-e82e6c98-71
0.394
MAR-TRE-c317dd82-13
0.392
MAR-TRE-e82e6c98-34
0.392
MAR-TRE-a9136c7b-74
0.390
MAR-TRE-c317dd82-18
0.389
MAR-TRE-be9ff7d2-47
0.388
MAR-TRE-799db12b-45
0.383
MAR-TRE-be9ff7d2-35
0.382
MAR-TRE-8190bb11-100
0.380
MAR-TRE-4f781e27-67
0.380
MAR-TRE-8190bb11-56
0.378
MAR-TRE-e82e6c98-30
0.377
MAR-TRE-be9ff7d2-29
0.377
MAR-TRE-a9136c7b-62
0.377
MAR-TRE-c317dd82-73
0.375
MAR-TRE-8190bb11-72
0.375
MAR-TRE-e82e6c98-79
0.373
MAR-TRE-799db12b-64
0.370
MAR-TRE-66ac689e-60
0.370
MAR-TRE-8190bb11-98
0.370
MAR-TRE-66ac689e-66
0.368
MAR-TRE-a9136c7b-65
0.367
MAR-TRE-e82e6c98-31
0.364
MAR-TRE-799db12b-99
0.362
MAR-TRE-c317dd82-69
0.362
MAR-TRE-9d18ae8c-85
0.361
MAR-TRE-799db12b-63
0.360
MAR-TRE-c317dd82-81
0.359
MAR-TRE-799db12b-8
0.358
MAR-TRE-8190bb11-5
0.357
MAR-TRE-9d18ae8c-59
0.357
MAR-TRE-c317dd82-45
0.356
MAR-TRE-be9ff7d2-93
0.355
MAR-TRE-4f781e27-38
0.354
MAR-TRE-be9ff7d2-55
0.354
MAR-TRE-e82e6c98-88
0.354
MAR-TRE-a9136c7b-19
0.354
MAR-TRE-799db12b-36
0.354
MAR-TRE-92684b97-87
0.352
MAR-TRE-a9136c7b-69
0.350
MAR-TRE-799db12b-34
0.350
MAR-TRE-799db12b-49
0.349
MAR-TRE-c317dd82-27
0.349
MAR-TRE-66ac689e-57
0.347
MAR-TRE-e82e6c98-72
0.347
MAR-TRE-799db12b-94
0.347
MAR-TRE-92684b97-100
0.346
MAR-TRE-c317dd82-62
0.346
MAR-TRE-799db12b-31
0.346
MAR-TRE-a9136c7b-67
0.346
MAR-TRE-9d18ae8c-80
0.346
MAR-TRE-a9136c7b-17
0.346
MAR-TRE-799db12b-62
0.346
MAR-TRE-799db12b-95
0.343
MAR-TRE-9d18ae8c-21
0.342
MAR-TRE-9d18ae8c-87
0.342
MAR-TRE-8190bb11-11
0.342
MAR-TRE-e82e6c98-55
0.342
MAR-TRE-dab8f6ea-29
0.342
MAR-TRE-e82e6c98-66
0.342
MAR-TRE-be9ff7d2-66
0.342
MAR-TRE-e82e6c98-12
0.342
MAR-TRE-799db12b-32
0.342
MAR-TRE-4f781e27-59
0.342
MAR-TRE-c317dd82-85
0.341
MAR-TRE-c317dd82-41
0.338
MAR-TRE-e82e6c98-43
0.338
MAR-TRE-92684b97-63
0.338
MAR-TRE-4f781e27-70
0.338
MAR-TRE-4f781e27-24
0.338
MAR-TRE-8190bb11-97
0.338
MAR-TRE-9d18ae8c-88
0.338
MAR-TRE-be9ff7d2-3
0.338
MAR-TRE-66ac689e-3
0.338
MAR-TRE-4f781e27-29
0.338
MAR-TRE-66ac689e-18
0.338
MAR-TRE-e82e6c98-56
0.338
MAR-TRE-66ac689e-84
0.338
MAR-TRE-799db12b-73
0.338
MAR-TRE-799db12b-100
0.338
MAR-TRE-c317dd82-97
0.338
MAR-TRE-92684b97-36
0.338
MAR-TRE-799db12b-28
0.338
MAR-TRE-799db12b-82
0.338
MAR-TRE-799db12b-74
0.333
MAR-TRE-c317dd82-22
0.333
MAR-TRE-be9ff7d2-69
0.333
MAR-TRE-8190bb11-90
0.333
MAR-TRE-4f781e27-40
0.333
MAR-TRE-92684b97-27
0.333