Molecular Properties | |
SMILES: | COC(=O)C(C)NC(=O)C(C)NC(=O)c1cncnc1 |
MW: | 280.12 |
Fraction sp3: | 0.42 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 110.28 |
cLogP: | -0.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
Long aliphatic chain
Dipeptide
MAR-TRE-a9136c7b-12
0.465
MAR-TRE-be9ff7d2-6
0.463
MAR-TRE-be9ff7d2-68
0.463
MAR-TRE-c317dd82-96
0.438
MAR-TRE-4f781e27-40
0.433
MAR-TRE-9d18ae8c-85
0.424
MAR-TRE-a9136c7b-91
0.420
MAR-TRE-e82e6c98-71
0.418
MAR-TRE-e82e6c98-77
0.415
MAR-TRE-4f781e27-86
0.412
MAR-TRE-66ac689e-57
0.409
MAR-TRE-4f781e27-14
0.406
MAR-TRE-4f781e27-45
0.400
MAR-TRE-8190bb11-5
0.400
MAR-TRE-9d18ae8c-60
0.397
MAR-TRE-66ac689e-3
0.397
MAR-TRE-66ac689e-18
0.397
MAR-TRE-e82e6c98-34
0.394
MAR-TRE-66ac689e-71
0.394
MAR-TRE-9d18ae8c-99
0.394
MAR-TRE-92684b97-87
0.394
MAR-TRE-9d18ae8c-17
0.392
MAR-TRE-8190bb11-67
0.392
MAR-TRE-799db12b-47
0.391
MAR-TRE-8190bb11-98
0.391
MAR-TRE-4f781e27-69
0.390
MAR-TRE-be9ff7d2-64
0.389
MAR-TRE-a9136c7b-49
0.389
MAR-TRE-a9136c7b-70
0.389
MAR-TRE-c317dd82-94
0.386
MAR-TRE-799db12b-46
0.386
MAR-TRE-799db12b-94
0.386
MAR-TRE-a9136c7b-67
0.384
MAR-TRE-799db12b-32
0.380
MAR-TRE-a9136c7b-98
0.380
MAR-TRE-9d18ae8c-59
0.379
MAR-TRE-a9136c7b-59
0.378
MAR-TRE-be9ff7d2-3
0.377
MAR-TRE-4f781e27-29
0.377
MAR-TRE-92684b97-77
0.377
MAR-TRE-4f781e27-27
0.377
MAR-TRE-799db12b-50
0.375
MAR-TRE-8190bb11-70
0.373
MAR-TRE-66ac689e-95
0.371
MAR-TRE-92684b97-71
0.371
MAR-TRE-799db12b-80
0.370
MAR-TRE-be9ff7d2-47
0.369
MAR-TRE-4f781e27-39
0.368
MAR-TRE-66ac689e-80
0.366
MAR-TRE-66ac689e-93
0.366
MAR-TRE-9d18ae8c-40
0.366
MAR-TRE-66ac689e-79
0.366
MAR-TRE-799db12b-31
0.365
MAR-TRE-92684b97-92
0.364
MAR-TRE-8190bb11-11
0.362
MAR-TRE-8190bb11-47
0.362
MAR-TRE-8190bb11-10
0.361
MAR-TRE-e82e6c98-13
0.361
MAR-TRE-799db12b-79
0.361
MAR-TRE-e82e6c98-87
0.360
MAR-TRE-a9136c7b-46
0.360
MAR-TRE-c317dd82-41
0.359
MAR-TRE-c317dd82-21
0.359
MAR-TRE-92684b97-93
0.359
MAR-TRE-92684b97-1
0.359
MAR-TRE-92684b97-32
0.359
MAR-TRE-e82e6c98-30
0.358
MAR-TRE-4f781e27-26
0.358
MAR-TRE-8190bb11-97
0.357
MAR-TRE-8190bb11-72
0.357
MAR-TRE-be9ff7d2-86
0.356
MAR-TRE-e82e6c98-56
0.356
MAR-TRE-66ac689e-84
0.356
MAR-TRE-e82e6c98-88
0.355
MAR-TRE-92684b97-84
0.355
MAR-TRE-799db12b-28
0.355
MAR-TRE-4f781e27-38
0.355
MAR-TRE-c317dd82-38
0.354
MAR-TRE-92684b97-56
0.353
MAR-TRE-be9ff7d2-48
0.353
MAR-TRE-92684b97-27
0.353
MAR-TRE-799db12b-74
0.352
MAR-TRE-66ac689e-15
0.352
MAR-TRE-be9ff7d2-97
0.351
MAR-TRE-66ac689e-66
0.351
MAR-TRE-66ac689e-97
0.351
MAR-TRE-a9136c7b-58
0.351
MAR-TRE-a9136c7b-69
0.351
MAR-TRE-799db12b-78
0.351
MAR-TRE-4f781e27-6
0.350
MAR-TRE-799db12b-55
0.347
MAR-TRE-66ac689e-72
0.347
MAR-TRE-be9ff7d2-12
0.347
MAR-TRE-9d18ae8c-80
0.347
MAR-TRE-c317dd82-42
0.347
MAR-TRE-4f781e27-56
0.347
MAR-TRE-92684b97-25
0.346
MAR-TRE-92684b97-2
0.346
MAR-TRE-92684b97-68
0.346
MAR-TRE-e82e6c98-70
0.343