Molecular Properties | |
SMILES: | COC(=O)C(C)(NC(=O)c1cncnc1)c1ccc(OC)cc1 |
MW: | 315.12 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 90.41 |
cLogP: | 1.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-66ac689e-23
0.737
MAR-TRE-66ac689e-86
0.737
MAR-TRE-a9136c7b-81
0.609
MAR-TRE-66ac689e-70
0.547
MAR-TRE-66ac689e-75
0.500
MAR-TRE-4f781e27-78
0.500
MAR-TRE-66ac689e-14
0.478
MAR-TRE-be9ff7d2-28
0.472
MAR-TRE-e82e6c98-9
0.443
MAR-TRE-be9ff7d2-65
0.426
MAR-TRE-8190bb11-74
0.425
MAR-TRE-8190bb11-58
0.419
MAR-TRE-4f781e27-74
0.417
MAR-TRE-8190bb11-36
0.417
MAR-TRE-66ac689e-57
0.414
MAR-TRE-8190bb11-62
0.414
MAR-TRE-4f781e27-32
0.414
MAR-TRE-799db12b-66
0.411
MAR-TRE-799db12b-90
0.410
MAR-TRE-a9136c7b-98
0.405
MAR-TRE-66ac689e-18
0.403
MAR-TRE-799db12b-50
0.400
MAR-TRE-799db12b-47
0.397
MAR-TRE-799db12b-84
0.397
MAR-TRE-799db12b-80
0.395
MAR-TRE-8190bb11-22
0.392
MAR-TRE-799db12b-94
0.392
MAR-TRE-799db12b-46
0.392
MAR-TRE-c317dd82-76
0.392
MAR-TRE-799db12b-31
0.390
MAR-TRE-8190bb11-92
0.382
MAR-TRE-4f781e27-60
0.375
MAR-TRE-e82e6c98-11
0.373
MAR-TRE-8190bb11-85
0.371
MAR-TRE-9d18ae8c-85
0.370
MAR-TRE-92684b97-26
0.370
MAR-TRE-8190bb11-77
0.368
MAR-TRE-8190bb11-38
0.367
MAR-TRE-92684b97-73
0.367
MAR-TRE-a9136c7b-59
0.367
MAR-TRE-e82e6c98-15
0.366
MAR-TRE-799db12b-75
0.362
MAR-TRE-799db12b-28
0.362
MAR-TRE-66ac689e-89
0.362
MAR-TRE-8190bb11-67
0.362
MAR-TRE-92684b97-11
0.360
MAR-TRE-be9ff7d2-64
0.359
MAR-TRE-a9136c7b-69
0.358
MAR-TRE-9d18ae8c-40
0.355
MAR-TRE-92684b97-92
0.354
MAR-TRE-e82e6c98-76
0.351
MAR-TRE-e82e6c98-39
0.351
MAR-TRE-9d18ae8c-90
0.350
MAR-TRE-92684b97-1
0.349
MAR-TRE-92684b97-77
0.347
MAR-TRE-c317dd82-14
0.346
MAR-TRE-4f781e27-83
0.341
MAR-TRE-be9ff7d2-49
0.338
MAR-TRE-66ac689e-93
0.338
MAR-TRE-92684b97-83
0.338
MAR-TRE-e82e6c98-14
0.338
MAR-TRE-4f781e27-56
0.338
MAR-TRE-c317dd82-44
0.333
MAR-TRE-66ac689e-98
0.333
MAR-TRE-9d18ae8c-21
0.333
MAR-TRE-be9ff7d2-40
0.333
MAR-TRE-8190bb11-49
0.333
MAR-TRE-be9ff7d2-73
0.329
MAR-TRE-8190bb11-70
0.329
MAR-TRE-92684b97-48
0.329
MAR-TRE-c317dd82-82
0.329
MAR-TRE-be9ff7d2-3
0.329
MAR-TRE-66ac689e-69
0.326
MAR-TRE-799db12b-44
0.325
MAR-TRE-66ac689e-97
0.325
MAR-TRE-4f781e27-37
0.325
MAR-TRE-be9ff7d2-97
0.325
MAR-TRE-92684b97-14
0.325
MAR-TRE-8190bb11-78
0.325
MAR-TRE-66ac689e-99
0.321
MAR-TRE-4f781e27-35
0.321
MAR-TRE-92684b97-29
0.321
MAR-TRE-c317dd82-90
0.321
MAR-TRE-66ac689e-12
0.321
MAR-TRE-e82e6c98-16
0.321
MAR-TRE-92684b97-4
0.318
MAR-TRE-be9ff7d2-95
0.318
MAR-TRE-92684b97-93
0.318
MAR-TRE-9d18ae8c-86
0.318
MAR-TRE-a9136c7b-45
0.318
MAR-TRE-799db12b-87
0.317
MAR-TRE-92684b97-96
0.317
MAR-TRE-92684b97-54
0.316
MAR-TRE-4f781e27-16
0.316
MAR-TRE-92684b97-40
0.316
MAR-TRE-8190bb11-24
0.315
MAR-TRE-85681e92-91
0.315
MAR-TRE-4f781e27-9
0.314
MAR-TRE-9d18ae8c-19
0.314
MAR-TRE-9d18ae8c-24
0.314