Molecular Properties | |
SMILES: | COC(=O)C(NC(=O)c1cncnc1)c1ccc(Cl)cc1Cl |
MW: | 339.02 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 81.18 |
cLogP: | 2.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-a9136c7b-66
0.705
MAR-TRE-a9136c7b-48
0.567
MAR-TRE-4f781e27-86
0.559
MAR-TRE-4f781e27-40
0.536
MAR-TRE-a9136c7b-70
0.507
MAR-TRE-9d18ae8c-17
0.487
MAR-TRE-8190bb11-91
0.471
MAR-TRE-92684b97-32
0.468
MAR-TRE-4f781e27-14
0.466
MAR-TRE-92684b97-80
0.465
MAR-TRE-9d18ae8c-85
0.465
MAR-TRE-4f781e27-45
0.459
MAR-TRE-799db12b-61
0.458
MAR-TRE-9d18ae8c-60
0.455
MAR-TRE-66ac689e-71
0.453
MAR-TRE-a9136c7b-36
0.452
MAR-TRE-8190bb11-59
0.451
MAR-TRE-799db12b-96
0.438
MAR-TRE-799db12b-95
0.429
MAR-TRE-a9136c7b-58
0.425
MAR-TRE-799db12b-79
0.421
MAR-TRE-c317dd82-48
0.420
MAR-TRE-8190bb11-54
0.419
MAR-TRE-799db12b-23
0.419
MAR-TRE-66ac689e-84
0.416
MAR-TRE-be9ff7d2-86
0.416
MAR-TRE-c317dd82-94
0.408
MAR-TRE-799db12b-55
0.408
MAR-TRE-66ac689e-80
0.408
MAR-TRE-66ac689e-79
0.408
MAR-TRE-66ac689e-93
0.408
MAR-TRE-799db12b-78
0.407
MAR-TRE-c317dd82-41
0.406
MAR-TRE-9d18ae8c-64
0.405
MAR-TRE-e82e6c98-43
0.403
MAR-TRE-4f781e27-70
0.403
MAR-TRE-8190bb11-10
0.403
MAR-TRE-e82e6c98-13
0.403
MAR-TRE-a9136c7b-98
0.403
MAR-TRE-e82e6c98-20
0.400
MAR-TRE-a9136c7b-46
0.400
MAR-TRE-66ac689e-52
0.398
MAR-TRE-92684b97-50
0.397
MAR-TRE-4f781e27-9
0.393
MAR-TRE-66ac689e-82
0.392
MAR-TRE-66ac689e-64
0.388
MAR-TRE-66ac689e-56
0.388
MAR-TRE-e82e6c98-30
0.384
MAR-TRE-be9ff7d2-3
0.382
MAR-TRE-799db12b-91
0.378
MAR-TRE-8190bb11-71
0.378
MAR-TRE-92684b97-27
0.378
MAR-TRE-be9ff7d2-48
0.378
MAR-TRE-8190bb11-67
0.378
MAR-TRE-be9ff7d2-78
0.376
MAR-TRE-be9ff7d2-97
0.375
MAR-TRE-66ac689e-49
0.373
MAR-TRE-8190bb11-28
0.373
MAR-TRE-92684b97-17
0.373
MAR-TRE-92684b97-35
0.373
MAR-TRE-a9136c7b-33
0.372
MAR-TRE-9d18ae8c-28
0.372
MAR-TRE-92684b97-92
0.369
MAR-TRE-9d18ae8c-59
0.365
MAR-TRE-a9136c7b-52
0.365
MAR-TRE-92684b97-77
0.364
MAR-TRE-e82e6c98-71
0.364
MAR-TRE-66ac689e-63
0.362
MAR-TRE-9d18ae8c-99
0.362
MAR-TRE-8190bb11-70
0.361
MAR-TRE-e82e6c98-46
0.361
MAR-TRE-92684b97-71
0.359
MAR-TRE-799db12b-15
0.358
MAR-TRE-be9ff7d2-64
0.358
MAR-TRE-c317dd82-24
0.358
MAR-TRE-a9136c7b-26
0.356
MAR-TRE-66ac689e-57
0.355
MAR-TRE-a9136c7b-81
0.354
MAR-TRE-9d18ae8c-97
0.354
MAR-TRE-66ac689e-92
0.354
MAR-TRE-be9ff7d2-6
0.350
MAR-TRE-799db12b-32
0.350
MAR-TRE-799db12b-85
0.349
MAR-TRE-9d18ae8c-92
0.349
MAR-TRE-66ac689e-18
0.346
MAR-TRE-8190bb11-97
0.346
MAR-TRE-e82e6c98-34
0.346
MAR-TRE-a9136c7b-55
0.346
MAR-TRE-9d18ae8c-8
0.346
MAR-TRE-e82e6c98-88
0.345
MAR-TRE-799db12b-28
0.345
MAR-TRE-e82e6c98-77
0.342
MAR-TRE-92684b97-56
0.342
MAR-TRE-799db12b-47
0.342
MAR-TRE-66ac689e-95
0.342
MAR-TRE-a9136c7b-49
0.341
MAR-TRE-799db12b-80
0.341
MAR-TRE-66ac689e-97
0.341
MAR-TRE-8190bb11-25
0.341
MAR-TRE-66ac689e-36
0.341