Molecular Properties | |
SMILES: | COC(=O)C(NC(=O)c1cncnc1)c1ccc(C(C)(C)C)cc1 |
MW: | 327.16 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 81.18 |
cLogP: | 2.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-66ac689e-71
0.567
MAR-TRE-9d18ae8c-21
0.562
MAR-TRE-4f781e27-14
0.561
MAR-TRE-9d18ae8c-40
0.561
MAR-TRE-a9136c7b-70
0.559
MAR-TRE-4f781e27-45
0.552
MAR-TRE-9d18ae8c-60
0.543
MAR-TRE-4f781e27-40
0.500
MAR-TRE-4f781e27-86
0.478
MAR-TRE-799db12b-78
0.467
MAR-TRE-a9136c7b-91
0.465
MAR-TRE-66ac689e-84
0.458
MAR-TRE-799db12b-79
0.444
MAR-TRE-9d18ae8c-17
0.434
MAR-TRE-be9ff7d2-97
0.432
MAR-TRE-66ac689e-93
0.431
MAR-TRE-92684b97-80
0.429
MAR-TRE-8190bb11-10
0.425
MAR-TRE-c317dd82-48
0.424
MAR-TRE-8190bb11-54
0.423
MAR-TRE-66ac689e-18
0.423
MAR-TRE-66ac689e-95
0.417
MAR-TRE-92684b97-71
0.417
MAR-TRE-66ac689e-57
0.414
MAR-TRE-8190bb11-28
0.414
MAR-TRE-92684b97-17
0.414
MAR-TRE-a9136c7b-49
0.413
MAR-TRE-799db12b-55
0.411
MAR-TRE-799db12b-46
0.411
MAR-TRE-66ac689e-80
0.411
MAR-TRE-c317dd82-41
0.409
MAR-TRE-9d18ae8c-59
0.406
MAR-TRE-e82e6c98-30
0.406
MAR-TRE-799db12b-32
0.405
MAR-TRE-799db12b-61
0.403
MAR-TRE-799db12b-96
0.403
MAR-TRE-66ac689e-61
0.403
MAR-TRE-be9ff7d2-86
0.400
MAR-TRE-8190bb11-71
0.400
MAR-TRE-92684b97-27
0.400
MAR-TRE-799db12b-50
0.400
MAR-TRE-92684b97-56
0.400
MAR-TRE-e82e6c98-46
0.397
MAR-TRE-8190bb11-70
0.397
MAR-TRE-799db12b-47
0.397
MAR-TRE-799db12b-80
0.395
MAR-TRE-92684b97-35
0.394
MAR-TRE-8190bb11-59
0.394
MAR-TRE-9d18ae8c-28
0.392
MAR-TRE-c317dd82-94
0.392
MAR-TRE-799db12b-94
0.392
MAR-TRE-66ac689e-79
0.392
MAR-TRE-799db12b-95
0.391
MAR-TRE-8190bb11-91
0.391
MAR-TRE-e82e6c98-70
0.391
MAR-TRE-9d18ae8c-64
0.389
MAR-TRE-66ac689e-58
0.386
MAR-TRE-8190bb11-5
0.386
MAR-TRE-8190bb11-14
0.385
MAR-TRE-8190bb11-26
0.385
MAR-TRE-be9ff7d2-3
0.384
MAR-TRE-e82e6c98-71
0.384
MAR-TRE-8190bb11-72
0.384
MAR-TRE-92684b97-77
0.384
MAR-TRE-66ac689e-3
0.384
MAR-TRE-799db12b-100
0.382
MAR-TRE-92684b97-50
0.380
MAR-TRE-799db12b-28
0.380
MAR-TRE-66ac689e-97
0.377
MAR-TRE-66ac689e-86
0.375
MAR-TRE-66ac689e-23
0.375
MAR-TRE-799db12b-66
0.373
MAR-TRE-92684b97-86
0.373
MAR-TRE-66ac689e-72
0.373
MAR-TRE-799db12b-31
0.372
MAR-TRE-9d18ae8c-80
0.372
MAR-TRE-4f781e27-56
0.372
MAR-TRE-92684b97-2
0.370
MAR-TRE-a9136c7b-66
0.370
MAR-TRE-8190bb11-47
0.370
MAR-TRE-799db12b-41
0.370
MAR-TRE-9d18ae8c-87
0.370
MAR-TRE-8190bb11-74
0.368
MAR-TRE-66ac689e-100
0.368
MAR-TRE-4f781e27-71
0.367
MAR-TRE-a9136c7b-59
0.367
MAR-TRE-4f781e27-70
0.366
MAR-TRE-66ac689e-62
0.366
MAR-TRE-92684b97-63
0.366
MAR-TRE-66ac689e-52
0.366
MAR-TRE-e82e6c98-9
0.365
MAR-TRE-799db12b-23
0.365
MAR-TRE-e82e6c98-34
0.364
MAR-TRE-9d18ae8c-99
0.364
MAR-TRE-66ac689e-85
0.364
MAR-TRE-799db12b-75
0.362
MAR-TRE-8190bb11-67
0.362
MAR-TRE-9d18ae8c-19
0.361
MAR-TRE-9d18ae8c-24
0.361
MAR-TRE-c317dd82-96
0.361