Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)c1ccc2[nH]c(=O)oc2c1 |
MW: | 284.09 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 100.88 |
cLogP: | 1.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-799db12b-100
0.562
WIL-UNI-d4749f31-29
0.554
MAR-TRE-799db12b-32
0.487
WIL-UNI-2a57d06c-42
0.483
MAR-TRE-a9136c7b-13
0.471
MAR-TRE-4f781e27-59
0.463
MAR-TRE-66ac689e-72
0.455
MAR-TRE-a9136c7b-19
0.452
MAR-TRE-8190bb11-5
0.452
MAR-TRE-66ac689e-45
0.444
MAR-TRE-799db12b-73
0.443
MAR-TRE-66ac689e-22
0.443
MAR-TRE-66ac689e-27
0.443
MAR-TRE-799db12b-36
0.435
MAR-TRE-8190bb11-23
0.435
MAR-TRE-799db12b-45
0.430
MAR-TRE-66ac689e-3
0.429
MAR-TRE-799db12b-49
0.414
MAR-TRE-9d18ae8c-9
0.412
MAR-TRE-8190bb11-98
0.405
MAR-TRE-799db12b-99
0.395
MAR-TRE-4f781e27-39
0.385
MAR-TRE-9d18ae8c-62
0.368
MAR-TRE-799db12b-55
0.366
MAR-TRE-92684b97-100
0.365
MAR-TRE-92684b97-80
0.362
MAR-TRE-92684b97-41
0.362
MAR-TRE-799db12b-79
0.361
MAR-TRE-9d18ae8c-59
0.359
MAR-TRE-8190bb11-72
0.358
MAR-TRE-66ac689e-77
0.356
MAR-TRE-e82e6c98-88
0.356
MAR-TRE-92684b97-36
0.356
MAR-TRE-a9136c7b-70
0.353
MAR-TRE-be9ff7d2-64
0.353
MAR-TRE-4f781e27-93
0.352
MAR-TRE-799db12b-78
0.352
MAR-TRE-be9ff7d2-47
0.351
MAR-TRE-66ac689e-57
0.350
MAR-TRE-799db12b-46
0.349
MAR-TRE-9d18ae8c-40
0.349
MAR-TRE-799db12b-31
0.349
MAR-TRE-a9136c7b-8
0.348
MAR-TRE-9d18ae8c-21
0.346
MAR-TRE-9d18ae8c-87
0.346
MAR-TRE-9d18ae8c-85
0.346
MAR-TRE-a9136c7b-59
0.345
MAR-TRE-a9136c7b-62
0.345
MAR-TRE-92684b97-63
0.342
MAR-TRE-66ac689e-18
0.341
MAR-TRE-a9136c7b-74
0.341
MAR-TRE-4f781e27-38
0.341
MAR-TRE-a9136c7b-82
0.341
MAR-TRE-c317dd82-48
0.338
MAR-TRE-92684b97-56
0.338
MAR-TRE-c317dd82-96
0.338
MAR-TRE-66ac689e-95
0.337
MAR-TRE-799db12b-47
0.337
MAR-TRE-92684b97-71
0.337
MAR-TRE-66ac689e-94
0.337
MAR-TRE-a9136c7b-49
0.337
MAR-TRE-66ac689e-66
0.337
MAR-TRE-a9136c7b-35
0.337
MAR-TRE-a9136c7b-69
0.337
MAR-TRE-a9136c7b-93
0.333
MAR-TRE-66ac689e-80
0.333
MAR-TRE-4f781e27-14
0.333
MAR-TRE-4f781e27-73
0.333
MAR-TRE-92684b97-17
0.333
MAR-TRE-66ac689e-64
0.333
MAR-TRE-66ac689e-79
0.333
MAR-TRE-4f781e27-68
0.333
MAR-TRE-799db12b-94
0.333
MAR-TRE-9d18ae8c-80
0.333
MAR-TRE-e82e6c98-13
0.329
MAR-TRE-8190bb11-47
0.329
MAR-TRE-9d18ae8c-26
0.326
MAR-TRE-e82e6c98-46
0.326
MAR-TRE-8190bb11-67
0.326
MAR-TRE-66ac689e-84
0.326
MAR-TRE-66ac689e-71
0.326
MAR-TRE-799db12b-50
0.326
MAR-TRE-9d18ae8c-37
0.326
MAR-TRE-8190bb11-97
0.325
MAR-TRE-4f781e27-24
0.325
MAR-TRE-4f781e27-29
0.325
MAR-TRE-799db12b-61
0.325
MAR-TRE-92684b97-77
0.325
MAR-TRE-e82e6c98-71
0.325
MAR-TRE-be9ff7d2-3
0.325
MAR-TRE-799db12b-96
0.325
MAR-TRE-8190bb11-54
0.325
MAR-TRE-66ac689e-58
0.325
MAR-TRE-4f781e27-70
0.325
MAR-TRE-e82e6c98-30
0.325
MAR-TRE-66ac689e-62
0.325
MAR-TRE-c317dd82-41
0.325
MAR-TRE-a9136c7b-26
0.323
MAR-TRE-8190bb11-90
0.322
MAR-TRE-799db12b-80
0.322