Molecular Properties | |
SMILES: | CN1CC(NC(=O)c2cncnc2)C(c2cn(C)cn2)C1 |
MW: | 286.15 |
Fraction sp3: | 0.43 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 75.94 |
cLogP: | 0.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-77
0.405
MAR-TRE-c317dd82-18
0.385
MAR-TRE-92684b97-57
0.384
MAR-TRE-799db12b-57
0.372
MAR-TRE-e82e6c98-44
0.370
MAR-TRE-e82e6c98-81
0.367
MAR-TRE-be9ff7d2-22
0.358
MAR-TRE-9d18ae8c-93
0.354
MAR-TRE-be9ff7d2-42
0.350
MAR-TRE-be9ff7d2-69
0.350
MAR-TRE-e82e6c98-65
0.350
MAR-TRE-a9136c7b-47
0.349
MAR-TRE-a9136c7b-96
0.349
MAR-TRE-be9ff7d2-75
0.348
MAR-TRE-799db12b-29
0.346
MAR-TRE-92684b97-39
0.346
MAR-TRE-be9ff7d2-30
0.345
MAR-TRE-92684b97-62
0.345
MAR-TRE-a9136c7b-95
0.345
MAR-TRE-be9ff7d2-52
0.344
MAR-TRE-8190bb11-41
0.341
MAR-TRE-c317dd82-65
0.341
MAR-TRE-a9136c7b-2
0.337
MAR-TRE-e82e6c98-53
0.333
MAR-TRE-c317dd82-69
0.330
MAR-TRE-c317dd82-88
0.329
MAR-TRE-a9136c7b-63
0.326
MAR-TRE-799db12b-71
0.326
MAR-TRE-be9ff7d2-53
0.326
MAR-TRE-92684b97-28
0.326
MAR-TRE-c317dd82-44
0.326
MAR-TRE-a9136c7b-89
0.326
MAR-TRE-c317dd82-8
0.325
MAR-TRE-e82e6c98-86
0.322
MAR-TRE-a9136c7b-86
0.322
MAR-TRE-c317dd82-72
0.322
MAR-TRE-c317dd82-46
0.321
MAR-TRE-799db12b-92
0.319
MAR-TRE-e82e6c98-96
0.319
MAR-TRE-c317dd82-54
0.313
MAR-TRE-c317dd82-15
0.310
MAR-TRE-c317dd82-58
0.308
MAR-TRE-c317dd82-14
0.307
MAR-TRE-c317dd82-61
0.307
MAR-TRE-a9136c7b-64
0.307
MAR-TRE-c317dd82-57
0.306
MAR-TRE-c317dd82-73
0.305
MAR-TRE-8190bb11-93
0.303
MAR-TRE-be9ff7d2-72
0.301
MAR-TRE-e82e6c98-22
0.301
MAR-TRE-e82e6c98-69
0.301
MAR-TRE-be9ff7d2-88
0.300
MAR-TRE-c317dd82-89
0.300
MAR-TRE-be9ff7d2-8
0.300
MAR-TRE-799db12b-8
0.297
MAR-TRE-be9ff7d2-38
0.296
MAR-TRE-c317dd82-64
0.295
MAR-TRE-e82e6c98-99
0.295
MAR-TRE-c317dd82-80
0.295
MAR-TRE-9d18ae8c-38
0.295
MAR-TRE-be9ff7d2-47
0.295
MAR-TRE-e82e6c98-21
0.295
MAR-TRE-66ac689e-60
0.293
MAR-TRE-be9ff7d2-25
0.293
MAR-TRE-9d18ae8c-78
0.293
MAR-TRE-e82e6c98-59
0.292
MAR-TRE-4f781e27-89
0.292
MAR-TRE-be9ff7d2-46
0.292
MAR-TRE-e82e6c98-36
0.292
MAR-TRE-4f781e27-79
0.292
MAR-TRE-c317dd82-3
0.292
MAR-TRE-c317dd82-34
0.291
MAR-TRE-9d18ae8c-96
0.289
MAR-TRE-c317dd82-82
0.289
MAR-TRE-4f781e27-18
0.289
MAR-TRE-be9ff7d2-94
0.287
MAR-TRE-e82e6c98-30
0.287
MAR-TRE-c317dd82-6
0.287
MAR-TRE-e82e6c98-82
0.286
MAR-TRE-be9ff7d2-99
0.286
MAR-TRE-e82e6c98-48
0.286
MAR-TRE-be9ff7d2-13
0.286
MAR-TRE-be9ff7d2-43
0.286
MAR-TRE-be9ff7d2-77
0.286
MAR-TRE-92684b97-70
0.284
MAR-TRE-c317dd82-67
0.284
MAR-TRE-e82e6c98-31
0.284
MAR-TRE-e82e6c98-52
0.284
MAR-TRE-799db12b-89
0.284
MAR-TRE-c317dd82-96
0.284
MAR-TRE-e82e6c98-47
0.284
MAR-TRE-c317dd82-29
0.283
MAR-TRE-c317dd82-5
0.283
MAR-TRE-e82e6c98-33
0.283
MAR-TRE-e82e6c98-16
0.282
MAR-TRE-92684b97-7
0.282
MAR-TRE-92684b97-83
0.282
MAR-TRE-799db12b-52
0.281
MAR-TRE-9d18ae8c-90
0.281
MAR-TRE-e82e6c98-80
0.280