Molecular Properties | |
SMILES: | CC(C)(NC(=O)c1cncnc1)c1nnc2n1CCCC2 |
MW: | 286.15 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.59 |
cLogP: | 1.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-38
0.474
MAR-TRE-66ac689e-66
0.474
MAR-TRE-4f781e27-65
0.443
MAR-TRE-8190bb11-61
0.434
MAR-TRE-e82e6c98-39
0.395
MAR-TRE-e82e6c98-15
0.373
MAR-TRE-be9ff7d2-26
0.359
MAR-TRE-799db12b-11
0.356
MAR-TRE-8190bb11-62
0.346
MAR-TRE-92684b97-83
0.346
MAR-TRE-9d18ae8c-56
0.345
MAR-TRE-e82e6c98-8
0.345
MAR-TRE-9d18ae8c-75
0.345
MAR-TRE-4f781e27-78
0.342
MAR-TRE-66ac689e-75
0.342
MAR-TRE-be9ff7d2-65
0.338
MAR-TRE-c317dd82-82
0.338
MAR-TRE-c317dd82-6
0.333
MAR-TRE-8190bb11-36
0.333
MAR-TRE-e82e6c98-11
0.329
MAR-TRE-66ac689e-70
0.329
MAR-TRE-66ac689e-23
0.329
MAR-TRE-66ac689e-14
0.329
MAR-TRE-4f781e27-32
0.329
MAR-TRE-e82e6c98-94
0.329
MAR-TRE-92684b97-26
0.325
MAR-TRE-799db12b-98
0.322
MAR-TRE-e82e6c98-9
0.321
MAR-TRE-c317dd82-73
0.321
MAR-TRE-be9ff7d2-42
0.317
MAR-TRE-4f781e27-74
0.317
MAR-TRE-c317dd82-89
0.315
MAR-TRE-e82e6c98-93
0.314
MAR-TRE-66ac689e-78
0.314
MAR-TRE-66ac689e-21
0.314
MAR-TRE-c317dd82-76
0.313
MAR-TRE-8190bb11-22
0.313
MAR-TRE-799db12b-66
0.313
MAR-TRE-92684b97-74
0.312
MAR-TRE-66ac689e-86
0.312
MAR-TRE-be9ff7d2-92
0.310
MAR-TRE-92684b97-20
0.310
MAR-TRE-8190bb11-74
0.310
MAR-TRE-799db12b-41
0.309
MAR-TRE-9d18ae8c-78
0.309
MAR-TRE-8190bb11-99
0.309
MAR-TRE-c317dd82-83
0.308
MAR-TRE-8190bb11-85
0.308
MAR-TRE-be9ff7d2-55
0.307
MAR-TRE-a9136c7b-44
0.307
MAR-TRE-799db12b-75
0.307
MAR-TRE-4f781e27-79
0.307
MAR-TRE-8190bb11-92
0.306
MAR-TRE-e82e6c98-68
0.304
MAR-TRE-9d18ae8c-95
0.304
MAR-TRE-66ac689e-47
0.303
MAR-TRE-9d18ae8c-27
0.302
MAR-TRE-c317dd82-55
0.301
MAR-TRE-be9ff7d2-88
0.300
MAR-TRE-92684b97-52
0.300
MAR-TRE-be9ff7d2-77
0.300
MAR-TRE-92684b97-7
0.298
MAR-TRE-a9136c7b-81
0.298
MAR-TRE-799db12b-29
0.298
MAR-TRE-e82e6c98-64
0.295
MAR-TRE-4f781e27-13
0.295
MAR-TRE-e82e6c98-90
0.295
MAR-TRE-66ac689e-29
0.295
MAR-TRE-92684b97-57
0.295
MAR-TRE-e82e6c98-66
0.294
MAR-TRE-92684b97-40
0.293
MAR-TRE-4f781e27-50
0.293
MAR-TRE-c317dd82-30
0.292
MAR-TRE-c317dd82-34
0.291
MAR-TRE-e82e6c98-34
0.291
MAR-TRE-8190bb11-58
0.291
MAR-TRE-9d18ae8c-65
0.290
MAR-TRE-9d18ae8c-96
0.289
MAR-TRE-e82e6c98-71
0.289
MAR-TRE-c317dd82-46
0.289
MAR-TRE-799db12b-90
0.289
MAR-TRE-8190bb11-90
0.289
MAR-TRE-9d18ae8c-76
0.287
MAR-TRE-be9ff7d2-36
0.287
MAR-TRE-be9ff7d2-28
0.287
MAR-TRE-c317dd82-18
0.286
MAR-TRE-be9ff7d2-13
0.286
MAR-TRE-be9ff7d2-56
0.286
MAR-TRE-e82e6c98-22
0.286
MAR-TRE-e82e6c98-65
0.286
MAR-TRE-a9136c7b-17
0.286
MAR-TRE-a9136c7b-83
0.284
MAR-TRE-c317dd82-78
0.284
MAR-TRE-92684b97-100
0.284
MAR-TRE-be9ff7d2-14
0.284
MAR-TRE-a9136c7b-61
0.284
MAR-TRE-c317dd82-96
0.284
MAR-TRE-e82e6c98-47
0.284
MAR-TRE-4f781e27-21
0.284
MAR-TRE-c317dd82-85
0.283