Molecular Properties | |
SMILES: | COC(=O)Cc1nnc(NC(=O)c2cncnc2)[nH]1 |
MW: | 262.08 |
Fraction sp3: | 0.2 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 122.75 |
cLogP: | -0.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-be9ff7d2-56
0.525
MAR-TRE-c317dd82-90
0.405
MAR-TRE-be9ff7d2-83
0.400
MAR-TRE-66ac689e-88
0.366
MAR-TRE-e82e6c98-27
0.362
MAR-TRE-4f781e27-47
0.354
MAR-TRE-799db12b-86
0.354
MAR-TRE-e82e6c98-80
0.352
MAR-TRE-4f781e27-12
0.352
MAR-TRE-e82e6c98-16
0.351
MAR-TRE-e82e6c98-41
0.348
MAR-TRE-e82e6c98-55
0.347
MAR-TRE-be9ff7d2-15
0.347
MAR-TRE-8190bb11-74
0.347
MAR-TRE-92684b97-54
0.347
MAR-TRE-8190bb11-38
0.346
MAR-TRE-e82e6c98-9
0.342
MAR-TRE-e82e6c98-46
0.342
MAR-TRE-799db12b-33
0.342
MAR-TRE-66ac689e-89
0.342
MAR-TRE-c317dd82-48
0.338
MAR-TRE-e82e6c98-77
0.338
MAR-TRE-799db12b-74
0.338
MAR-TRE-66ac689e-95
0.338
MAR-TRE-8190bb11-51
0.338
MAR-TRE-92684b97-71
0.338
MAR-TRE-4f781e27-60
0.338
MAR-TRE-799db12b-43
0.338
MAR-TRE-be9ff7d2-49
0.333
MAR-TRE-be9ff7d2-85
0.333
MAR-TRE-e82e6c98-74
0.333
MAR-TRE-799db12b-66
0.333
MAR-TRE-66ac689e-80
0.333
MAR-TRE-c317dd82-94
0.333
MAR-TRE-e82e6c98-1
0.333
MAR-TRE-799db12b-46
0.333
MAR-TRE-66ac689e-30
0.333
MAR-TRE-9d18ae8c-40
0.333
MAR-TRE-4f781e27-71
0.329
MAR-TRE-4f781e27-16
0.329
MAR-TRE-8190bb11-49
0.329
MAR-TRE-4f781e27-49
0.329
MAR-TRE-87acfbcc-12
0.328
MAR-TRE-8190bb11-4
0.325
MAR-TRE-e82e6c98-38
0.325
MAR-TRE-799db12b-75
0.325
MAR-TRE-799db12b-39
0.325
MAR-TRE-e82e6c98-71
0.324
MAR-TRE-a9136c7b-10
0.321
MAR-TRE-a9136c7b-32
0.321
MAR-TRE-a9136c7b-12
0.321
MAR-TRE-799db12b-90
0.321
MAR-TRE-a9136c7b-49
0.321
MAR-TRE-799db12b-80
0.321
MAR-TRE-92684b97-55
0.321
MAR-TRE-e82e6c98-65
0.320
MAR-TRE-799db12b-84
0.320
MAR-TRE-66ac689e-99
0.317
MAR-TRE-92684b97-82
0.316
MAR-TRE-c317dd82-91
0.316
MAR-TRE-799db12b-94
0.316
MAR-TRE-8190bb11-69
0.316
MAR-TRE-4f781e27-22
0.316
MAR-TRE-be9ff7d2-20
0.315
MAR-TRE-66ac689e-57
0.315
MAR-TRE-e82e6c98-72
0.315
MAR-TRE-87acfbcc-13
0.313
MAR-TRE-a9136c7b-46
0.312
MAR-TRE-799db12b-63
0.312
MAR-TRE-c317dd82-99
0.312
MAR-TRE-a9136c7b-28
0.312
MAR-TRE-be9ff7d2-40
0.312
MAR-TRE-799db12b-20
0.312
MAR-TRE-9d18ae8c-69
0.312
MAR-TRE-c317dd82-63
0.311
MAR-TRE-e82e6c98-76
0.311
MAR-TRE-4f781e27-69
0.310
MAR-TRE-66ac689e-87
0.309
MAR-TRE-66ac689e-71
0.308
MAR-TRE-9d18ae8c-14
0.308
MAR-TRE-e82e6c98-34
0.308
MAR-TRE-66ac689e-37
0.308
MAR-TRE-8190bb11-58
0.308
MAR-TRE-c317dd82-27
0.307
MAR-TRE-c317dd82-46
0.307
MAR-TRE-a9136c7b-92
0.307
MAR-TRE-66ac689e-18
0.307
MAR-TRE-4f781e27-19
0.307
MAR-TRE-8190bb11-72
0.307
MAR-TRE-c317dd82-56
0.306
MAR-TRE-9d18ae8c-72
0.306
MAR-TRE-9d18ae8c-76
0.306
MAR-TRE-e82e6c98-68
0.306
MAR-TRE-c317dd82-16
0.305
MAR-TRE-799db12b-78
0.305
MAR-TRE-a9136c7b-69
0.305
MAR-TRE-c317dd82-21
0.304
MAR-TRE-66ac689e-8
0.304
MAR-TRE-9d18ae8c-35
0.304
MAR-TRE-9d18ae8c-53
0.304