Molecular Properties | |
SMILES: | CCC(NC(=O)c1cncnc1)C(=O)N1CCOCC1 |
MW: | 278.14 |
Fraction sp3: | 0.54 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 84.42 |
cLogP: | -0.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-96
0.639
MAR-TRE-66ac689e-61
0.549
MAR-TRE-e82e6c98-71
0.471
MAR-TRE-e82e6c98-52
0.453
MAR-TRE-e82e6c98-34
0.446
MAR-TRE-e82e6c98-79
0.427
MAR-TRE-c317dd82-7
0.418
MAR-TRE-8190bb11-7
0.416
MAR-TRE-be9ff7d2-12
0.397
MAR-TRE-4f781e27-67
0.395
MAR-TRE-4f781e27-24
0.392
MAR-TRE-c317dd82-13
0.390
MAR-TRE-e82e6c98-100
0.387
MAR-TRE-66ac689e-19
0.386
MAR-TRE-4f781e27-39
0.384
MAR-TRE-92684b97-41
0.378
MAR-TRE-be9ff7d2-29
0.375
MAR-TRE-e82e6c98-20
0.373
MAR-TRE-be9ff7d2-93
0.372
MAR-TRE-66ac689e-84
0.372
MAR-TRE-799db12b-64
0.369
MAR-TRE-c317dd82-18
0.368
MAR-TRE-be9ff7d2-47
0.366
MAR-TRE-8190bb11-17
0.366
MAR-TRE-8190bb11-48
0.365
MAR-TRE-c317dd82-27
0.364
MAR-TRE-be9ff7d2-35
0.362
MAR-TRE-9d18ae8c-80
0.362
MAR-TRE-c317dd82-69
0.361
MAR-TRE-8190bb11-100
0.361
MAR-TRE-9d18ae8c-85
0.360
MAR-TRE-9d18ae8c-87
0.360
MAR-TRE-8190bb11-56
0.359
MAR-TRE-c317dd82-81
0.358
MAR-TRE-c317dd82-85
0.357
MAR-TRE-e82e6c98-30
0.356
MAR-TRE-c317dd82-45
0.356
MAR-TRE-c317dd82-73
0.355
MAR-TRE-be9ff7d2-55
0.354
MAR-TRE-92684b97-5
0.354
MAR-TRE-a9136c7b-74
0.354
MAR-TRE-66ac689e-60
0.353
MAR-TRE-8190bb11-61
0.353
MAR-TRE-a9136c7b-65
0.349
MAR-TRE-92684b97-8
0.349
MAR-TRE-e82e6c98-72
0.347
MAR-TRE-e82e6c98-31
0.346
MAR-TRE-4f781e27-56
0.346
MAR-TRE-a9136c7b-17
0.345
MAR-TRE-a9136c7b-29
0.345
MAR-TRE-c317dd82-10
0.344
MAR-TRE-e82e6c98-55
0.342
MAR-TRE-9d18ae8c-21
0.342
MAR-TRE-dab8f6ea-29
0.342
MAR-TRE-be9ff7d2-84
0.342
MAR-TRE-66ac689e-81
0.342
MAR-TRE-799db12b-63
0.342
MAR-TRE-a9136c7b-62
0.341
MAR-TRE-799db12b-8
0.341
MAR-TRE-c317dd82-95
0.341
MAR-TRE-4f781e27-27
0.341
MAR-TRE-c317dd82-21
0.338
MAR-TRE-c317dd82-41
0.338
MAR-TRE-9d18ae8c-59
0.338
MAR-TRE-8190bb11-72
0.338
MAR-TRE-be9ff7d2-3
0.338
MAR-TRE-66ac689e-41
0.338
MAR-TRE-4f781e27-29
0.338
MAR-TRE-e82e6c98-56
0.338
MAR-TRE-66ac689e-48
0.338
MAR-TRE-be9ff7d2-61
0.338
MAR-TRE-8190bb11-70
0.337
MAR-TRE-66ac689e-87
0.337
MAR-TRE-8190bb11-35
0.337
MAR-TRE-92684b97-97
0.337
MAR-TRE-a9136c7b-49
0.333
MAR-TRE-a9136c7b-69
0.333
MAR-TRE-799db12b-34
0.333
MAR-TRE-be9ff7d2-69
0.333
MAR-TRE-66ac689e-66
0.333
MAR-TRE-be9ff7d2-88
0.333
MAR-TRE-92684b97-56
0.333
MAR-TRE-799db12b-45
0.333
MAR-TRE-799db12b-78
0.333
MAK-UNK-f983951f-6
0.333
MAR-TRE-8190bb11-71
0.333
MAR-TRE-4f781e27-93
0.333
MAR-TRE-92684b97-87
0.333
MAR-TRE-c317dd82-22
0.333
MAR-TRE-c317dd82-48
0.333
MAR-TRE-799db12b-62
0.329
MAR-TRE-be9ff7d2-79
0.329
MAR-TRE-a9136c7b-77
0.329
MAR-TRE-a9136c7b-93
0.329
MAR-TRE-c317dd82-90
0.329
MAR-TRE-a9136c7b-67
0.329
MAR-TRE-9d18ae8c-40
0.329
MAR-TRE-e82e6c98-1
0.329
MAR-TRE-799db12b-94
0.329
MAR-TRE-66ac689e-57
0.329