Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)C(=O)NCc1ccco1 |
MW: | 274.11 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 97.12 |
cLogP: | 0.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
MAR-TRE-799db12b-60
0.507
MAR-TRE-66ac689e-33
0.481
MAR-TRE-c317dd82-48
0.463
MAR-TRE-be9ff7d2-6
0.440
MAR-TRE-799db12b-93
0.425
MAR-TRE-8190bb11-11
0.405
MAR-TRE-799db12b-31
0.405
MAR-TRE-c317dd82-96
0.397
MAR-TRE-8190bb11-98
0.395
MAR-TRE-9d18ae8c-59
0.384
MAR-TRE-4f781e27-29
0.382
MAR-TRE-799db12b-74
0.377
MAR-TRE-8190bb11-48
0.373
MAR-TRE-799db12b-63
0.367
MAR-TRE-8190bb11-72
0.364
MAR-TRE-799db12b-3
0.361
MAR-TRE-92684b97-5
0.361
MAR-TRE-799db12b-47
0.359
MAR-TRE-be9ff7d2-47
0.356
MAR-TRE-66ac689e-49
0.355
MAR-TRE-66ac689e-57
0.355
MAR-TRE-4f781e27-39
0.355
MAR-TRE-66ac689e-79
0.354
MAR-TRE-9d18ae8c-97
0.354
MAR-TRE-9d18ae8c-80
0.354
MAR-TRE-799db12b-16
0.354
MAR-TRE-8190bb11-91
0.351
MAR-TRE-92684b97-41
0.351
MAR-TRE-92684b97-51
0.351
MAR-TRE-9d18ae8c-64
0.351
MAR-TRE-9d18ae8c-87
0.351
MAR-TRE-92684b97-85
0.350
MAR-TRE-8190bb11-56
0.350
MAR-TRE-4f781e27-27
0.349
MAR-TRE-4f781e27-70
0.347
MAR-TRE-8190bb11-5
0.347
MAR-TRE-66ac689e-62
0.347
MAR-TRE-e82e6c98-30
0.347
MAR-TRE-92684b97-63
0.347
MAR-TRE-8190bb11-97
0.346
MAR-TRE-66ac689e-18
0.346
MAR-TRE-e82e6c98-71
0.346
MAR-TRE-e82e6c98-34
0.346
MAR-TRE-66ac689e-84
0.346
MAR-TRE-9d18ae8c-99
0.346
MAR-TRE-799db12b-50
0.346
MAR-TRE-799db12b-73
0.346
MAR-TRE-9d18ae8c-8
0.346
MAR-TRE-66ac689e-77
0.345
MAR-TRE-a9136c7b-74
0.345
MAR-TRE-92684b97-50
0.342
MAR-TRE-799db12b-91
0.342
MAR-TRE-92684b97-56
0.342
MAR-TRE-92684b97-87
0.342
MAR-TRE-92684b97-27
0.342
MAR-TRE-a9136c7b-36
0.342
MAR-TRE-4f781e27-51
0.341
MAR-TRE-799db12b-80
0.341
MAR-TRE-9d18ae8c-30
0.341
MAR-TRE-4f781e27-6
0.341
MAR-TRE-9d18ae8c-61
0.338
MAR-TRE-8190bb11-59
0.338
MAR-TRE-4f781e27-73
0.338
MAR-TRE-92684b97-17
0.338
MAR-TRE-66ac689e-80
0.338
MAR-TRE-799db12b-46
0.338
MAR-TRE-66ac689e-72
0.338
MAR-TRE-4f781e27-14
0.338
MAR-TRE-799db12b-94
0.338
MAR-TRE-66ac689e-30
0.338
MAR-TRE-92684b97-86
0.338
MAR-TRE-be9ff7d2-12
0.337
MAR-TRE-66ac689e-92
0.337
MAR-TRE-c317dd82-42
0.337
MAR-TRE-a9136c7b-67
0.337
MAR-TRE-4f781e27-4
0.337
MAR-TRE-92684b97-68
0.337
MAR-TRE-67513f76-87
0.333
MAR-TRE-8190bb11-26
0.333
MAR-TRE-8190bb11-47
0.333
MAR-TRE-9d18ae8c-21
0.333
MAR-TRE-66ac689e-52
0.333
MAR-TRE-7f7bb9f0-17
0.333
MAR-TRE-7f7bb9f0-85
0.333
MAR-TRE-9d18ae8c-69
0.333
MAR-TRE-a9136c7b-46
0.333
MAR-TRE-66ac689e-68
0.333
MAR-TRE-c317dd82-85
0.333
MAR-TRE-e82e6c98-70
0.333
MAR-TRE-799db12b-32
0.333
MAR-TRE-799db12b-95
0.333
MAR-TRE-8190bb11-46
0.333
MAR-TRE-a9136c7b-59
0.333
MAR-TRE-a9136c7b-66
0.333
MAR-TRE-a9136c7b-19
0.330
MAR-TRE-be9ff7d2-55
0.329
MAR-TRE-9d18ae8c-17
0.329
MAR-TRE-92684b97-64
0.329
MAR-TRE-9d18ae8c-50
0.329
MAR-TRE-9d18ae8c-54
0.329