Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)c1ccc(N2CCCNC2=O)cc1 |
MW: | 325.15 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 87.22 |
cLogP: | 1.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-799db12b-36
0.531
MAR-TRE-8190bb11-5
0.500
MAR-TRE-a9136c7b-57
0.476
MAR-TRE-66ac689e-3
0.474
MAR-TRE-799db12b-49
0.471
MAR-TRE-799db12b-45
0.437
MAR-TRE-4f781e27-59
0.434
MAR-TRE-799db12b-32
0.420
MAR-TRE-66ac689e-45
0.417
MAR-TRE-799db12b-100
0.415
MAR-TRE-799db12b-73
0.398
MAR-TRE-799db12b-82
0.395
MAR-TRE-a9136c7b-19
0.393
MAR-TRE-66ac689e-66
0.393
MAR-TRE-66ac689e-72
0.390
MAR-TRE-66ac689e-27
0.381
MAR-TRE-66ac689e-22
0.381
MAR-TRE-a9136c7b-13
0.380
MAR-TRE-9d18ae8c-9
0.371
MAR-TRE-a9136c7b-74
0.364
MAR-TRE-4f781e27-38
0.364
MAR-TRE-c317dd82-96
0.362
MAR-TRE-be9ff7d2-47
0.359
MAR-TRE-66ac689e-57
0.358
MAR-TRE-92684b97-100
0.356
MAR-TRE-8190bb11-47
0.354
MAR-TRE-9d18ae8c-59
0.350
MAR-TRE-8190bb11-72
0.349
MAR-TRE-a9136c7b-82
0.348
MAR-TRE-92684b97-36
0.348
MAR-TRE-8190bb11-98
0.345
MAR-TRE-a9136c7b-69
0.344
MAR-TRE-8190bb11-90
0.344
MAR-TRE-8190bb11-93
0.344
MAR-TRE-9d18ae8c-80
0.341
MAR-TRE-8190bb11-89
0.341
MAR-TRE-9d18ae8c-21
0.337
MAR-TRE-a9136c7b-62
0.337
MAR-TRE-66ac689e-85
0.333
MAR-TRE-e82e6c98-30
0.333
MAR-TRE-66ac689e-58
0.333
MAR-TRE-4f781e27-29
0.333
MAR-TRE-9d18ae8c-62
0.333
MAR-TRE-a9136c7b-35
0.330
MAR-TRE-92684b97-56
0.329
MAR-TRE-a9136c7b-8
0.326
MAR-TRE-a9136c7b-77
0.326
MAR-TRE-799db12b-31
0.326
MAR-TRE-8190bb11-6
0.326
MAR-TRE-66ac689e-56
0.326
MAR-TRE-9d18ae8c-40
0.326
MAR-TRE-66ac689e-42
0.326
AME-UNI-e7596d22-1
0.323
MAR-TRE-799db12b-8
0.323
MAR-TRE-a9136c7b-42
0.322
MAR-TRE-66ac689e-100
0.322
MAR-TRE-9d18ae8c-87
0.321
MAR-TRE-9d18ae8c-85
0.321
MAR-TRE-92684b97-80
0.321
MAR-TRE-e82e6c98-70
0.321
MAR-TRE-799db12b-28
0.319
MAR-TRE-e82e6c98-88
0.319
MAR-TRE-66ac689e-77
0.319
MAR-TRE-e82e6c98-34
0.318
MAR-TRE-66ac689e-71
0.318
MAR-TRE-9d18ae8c-37
0.318
MAR-TRE-9d18ae8c-57
0.318
MAR-TRE-8190bb11-97
0.318
MAR-TRE-66ac689e-18
0.318
MAR-TRE-4f781e27-70
0.317
MAR-TRE-92684b97-63
0.317
MAR-TRE-66ac689e-62
0.317
MAR-TRE-799db12b-58
0.315
MAR-TRE-66ac689e-82
0.315
MAR-TRE-9d18ae8c-41
0.315
MAR-TRE-66ac689e-95
0.314
MAR-TRE-be9ff7d2-16
0.314
MAR-TRE-92684b97-71
0.314
MAR-TRE-799db12b-47
0.314
MAR-TRE-c317dd82-48
0.312
MAR-TRE-a9136c7b-93
0.311
MAR-TRE-e82e6c98-31
0.311
MAR-TRE-799db12b-46
0.310
MAR-TRE-66ac689e-79
0.310
MAR-TRE-799db12b-55
0.310
MAR-TRE-799db12b-94
0.310
MAR-TRE-66ac689e-80
0.310
MAR-TRE-4f781e27-73
0.310
MAR-TRE-66ac689e-49
0.310
MAR-TRE-8190bb11-28
0.310
MAR-TRE-4f781e27-39
0.310
MAR-TRE-a9136c7b-59
0.308
MAR-TRE-c317dd82-71
0.308
MAR-TRE-66ac689e-61
0.308
MAR-TRE-66ac689e-40
0.308
MAR-TRE-be9ff7d2-6
0.307
MAR-TRE-799db12b-79
0.307
MAR-TRE-66ac689e-26
0.307
MAR-TRE-92684b97-15
0.307
MAR-TRE-8190bb11-11
0.306