Molecular Properties | |
SMILES: | CC(C)(NC(=O)c1cncnc1)C(=O)NC1CCC(O)CC1 |
MW: | 306.17 |
Fraction sp3: | 0.6 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 104.21 |
cLogP: | 0.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
MAR-TRE-92684b97-83
0.486
MAR-TRE-c317dd82-88
0.391
MAR-TRE-c317dd82-6
0.372
MAR-TRE-799db12b-51
0.361
MAR-TRE-92684b97-57
0.352
MAR-TRE-799db12b-89
0.350
MAR-TRE-66ac689e-75
0.347
MAR-TRE-4f781e27-78
0.347
MAR-TRE-e82e6c98-15
0.342
MAR-TRE-be9ff7d2-65
0.342
MAR-TRE-c317dd82-46
0.342
MAR-TRE-e82e6c98-65
0.338
MAR-TRE-e82e6c98-81
0.338
MAR-TRE-799db12b-70
0.338
MAR-TRE-66ac689e-70
0.333
MAR-TRE-66ac689e-14
0.333
MAR-TRE-66ac689e-23
0.333
MAR-TRE-66ac689e-86
0.333
MAR-TRE-8190bb11-22
0.333
MAR-TRE-8190bb11-62
0.333
MAR-TRE-4f781e27-32
0.333
MAR-TRE-799db12b-52
0.329
MAR-TRE-a9136c7b-89
0.329
MAR-TRE-92684b97-20
0.329
MAR-TRE-c317dd82-8
0.329
MAR-TRE-9d18ae8c-78
0.329
MAR-TRE-e82e6c98-39
0.329
MAR-TRE-92684b97-26
0.329
MAR-TRE-799db12b-41
0.329
MAR-TRE-8190bb11-85
0.329
MAR-TRE-9d18ae8c-96
0.329
MAR-TRE-e82e6c98-78
0.325
MAR-TRE-8190bb11-92
0.325
MAR-TRE-8190bb11-58
0.325
MAR-TRE-e82e6c98-89
0.325
MAR-TRE-e82e6c98-9
0.325
MAR-TRE-9d18ae8c-76
0.324
MAR-TRE-be9ff7d2-42
0.321
MAR-TRE-be9ff7d2-69
0.321
MAR-TRE-8190bb11-36
0.321
MAR-TRE-4f781e27-74
0.321
MAR-TRE-4f781e27-41
0.320
MAR-TRE-c317dd82-89
0.318
MAR-TRE-be9ff7d2-8
0.318
MAR-TRE-be9ff7d2-99
0.318
MAR-TRE-be9ff7d2-19
0.316
MAR-TRE-e82e6c98-11
0.316
MAR-TRE-a9136c7b-81
0.316
MAR-TRE-799db12b-29
0.316
MAR-TRE-799db12b-66
0.316
MAR-TRE-c317dd82-76
0.316
MAR-TRE-4f781e27-22
0.316
MAR-TRE-be9ff7d2-74
0.315
MAR-TRE-c317dd82-80
0.313
MAR-TRE-8190bb11-74
0.312
MAR-TRE-799db12b-4
0.311
MAR-TRE-c317dd82-98
0.311
MAR-TRE-c317dd82-58
0.310
MAR-TRE-799db12b-75
0.310
MAR-TRE-4f781e27-79
0.310
MAR-TRE-c317dd82-14
0.310
MAR-TRE-a9136c7b-64
0.310
MAR-TRE-c317dd82-32
0.308
MAR-TRE-9d18ae8c-95
0.307
MAR-TRE-a9136c7b-96
0.306
MAR-TRE-799db12b-90
0.306
MAR-TRE-4f781e27-18
0.306
MAR-TRE-be9ff7d2-28
0.305
MAR-TRE-799db12b-44
0.305
MAR-TRE-c317dd82-49
0.304
MAR-TRE-c317dd82-87
0.304
MAR-TRE-c317dd82-55
0.304
MAR-TRE-be9ff7d2-88
0.303
MAR-TRE-92684b97-52
0.303
MAR-TRE-92684b97-33
0.302
MAR-TRE-9d18ae8c-39
0.301
MAR-TRE-be9ff7d2-35
0.301
MAR-TRE-be9ff7d2-12
0.301
MAR-TRE-be9ff7d2-30
0.301
MAR-TRE-4f781e27-77
0.301
MAR-TRE-9d18ae8c-56
0.301
MAR-TRE-c317dd82-9
0.300
MAR-TRE-799db12b-18
0.300
MAR-TRE-92684b97-7
0.300
MAR-TRE-92684b97-39
0.300
MAR-TRE-799db12b-69
0.299
MAR-TRE-be9ff7d2-38
0.299
MAR-TRE-8190bb11-42
0.299
MAR-TRE-c317dd82-44
0.298
MAR-TRE-799db12b-7
0.298
MAR-TRE-e82e6c98-99
0.298
MAR-TRE-be9ff7d2-81
0.298
MAR-TRE-e82e6c98-94
0.297
MAR-TRE-8190bb11-27
0.297
MAR-TRE-c317dd82-99
0.296
MAR-TRE-4f781e27-99
0.295
MAR-TRE-9d18ae8c-21
0.295
MAR-TRE-e82e6c98-76
0.295
MAR-TRE-be9ff7d2-25
0.295
MAR-TRE-4f781e27-25
0.295