Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)c1cc(Cl)cc2c1OCC2 |
MW: | 303.08 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 64.11 |
cLogP: | 2.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-4
0.487
MAR-TRE-4f781e27-75
0.405
MAR-TRE-4f781e27-3
0.388
MAR-TRE-8190bb11-98
0.388
MAR-TRE-92684b97-100
0.381
MAR-TRE-4f781e27-59
0.376
MAR-TRE-92684b97-36
0.372
MAR-TRE-be9ff7d2-48
0.372
MAR-TRE-66ac689e-66
0.369
MAR-TRE-799db12b-45
0.367
MAR-TRE-a9136c7b-66
0.362
MAR-TRE-e82e6c98-43
0.359
MAR-TRE-8190bb11-5
0.359
MAR-TRE-66ac689e-27
0.357
MAR-TRE-4f781e27-38
0.356
MAR-TRE-a9136c7b-74
0.356
MAR-TRE-799db12b-82
0.356
MAR-TRE-66ac689e-77
0.356
MAR-TRE-be9ff7d2-78
0.356
MAR-TRE-a9136c7b-19
0.356
MAR-TRE-c317dd82-48
0.355
MAR-TRE-c317dd82-96
0.354
MAR-TRE-8190bb11-59
0.350
MAR-TRE-c317dd82-94
0.349
MAR-TRE-66ac689e-72
0.349
MAR-TRE-be9ff7d2-12
0.349
MAR-TRE-799db12b-95
0.346
MAR-TRE-8190bb11-91
0.346
MAR-TRE-92684b97-80
0.346
MAR-TRE-e82e6c98-13
0.345
MAR-TRE-a9136c7b-91
0.345
MAR-TRE-799db12b-32
0.345
MAR-TRE-a9136c7b-62
0.345
MAR-TRE-66ac689e-45
0.345
MAR-TRE-c317dd82-41
0.342
MAR-TRE-9d18ae8c-59
0.342
MAR-TRE-e82e6c98-20
0.341
MAR-TRE-66ac689e-3
0.341
MAR-TRE-a9136c7b-48
0.341
MAR-TRE-799db12b-61
0.341
MAR-TRE-4f781e27-24
0.341
MAR-TRE-799db12b-73
0.341
MAR-TRE-66ac689e-22
0.341
MAR-TRE-799db12b-100
0.341
MAR-TRE-92684b97-87
0.338
MAR-TRE-a9136c7b-36
0.337
MAR-TRE-799db12b-49
0.337
MAR-TRE-66ac689e-79
0.333
MAR-TRE-be9ff7d2-35
0.333
MAR-TRE-66ac689e-49
0.333
MAR-TRE-66ac689e-80
0.333
MAR-TRE-799db12b-8
0.330
MAR-TRE-9d18ae8c-64
0.329
MAR-TRE-66ac689e-19
0.326
MAR-TRE-799db12b-36
0.326
MAR-TRE-be9ff7d2-55
0.326
MAR-TRE-be9ff7d2-61
0.326
MAR-TRE-799db12b-23
0.325
MAR-TRE-799db12b-96
0.325
MAR-TRE-9d18ae8c-88
0.325
MAR-TRE-8190bb11-97
0.325
MAR-TRE-e82e6c98-71
0.325
MAR-TRE-8190bb11-54
0.325
MAR-TRE-be9ff7d2-65
0.325
MAR-TRE-e82e6c98-30
0.325
MAR-TRE-4f781e27-70
0.325
MAR-TRE-8190bb11-17
0.322
MAR-TRE-be9ff7d2-64
0.322
MAR-TRE-be9ff7d2-16
0.321
MAR-TRE-799db12b-91
0.321
MAR-TRE-be9ff7d2-26
0.320
MAR-TRE-9d18ae8c-9
0.319
MAR-TRE-799db12b-62
0.319
MAR-TRE-799db12b-99
0.319
MAR-TRE-66ac689e-64
0.318
MAR-TRE-66ac689e-56
0.318
MAR-TRE-66ac689e-42
0.318
MAR-TRE-92684b97-35
0.317
MAR-TRE-be9ff7d2-47
0.316
MAR-TRE-a9136c7b-52
0.315
MAR-TRE-92684b97-32
0.315
MAR-TRE-be9ff7d2-57
0.315
MAR-TRE-be9ff7d2-29
0.315
MAR-TRE-8190bb11-11
0.313
MAR-TRE-4f781e27-9
0.312
MAR-TRE-a9136c7b-82
0.311
MAR-TRE-e82e6c98-34
0.310
MAR-TRE-be9ff7d2-86
0.310
MAR-TRE-4f781e27-29
0.310
MAR-TRE-799db12b-58
0.308
MAR-TRE-8190bb11-90
0.308
MAR-TRE-a9136c7b-35
0.308
MAR-TRE-a9136c7b-70
0.307
MAR-TRE-66ac689e-82
0.307
MAR-TRE-a9136c7b-8
0.305
MAR-TRE-8190bb11-71
0.305
MAR-TRE-92684b97-27
0.305
MAR-TRE-92684b97-50
0.305
MAR-TRE-92684b97-56
0.305
MAR-TRE-92684b97-92
0.304