Molecular Properties | |
SMILES: | CCN(C)C(=O)CC1CCCCC1NC(=O)c1cncnc1 |
MW: | 304.19 |
Fraction sp3: | 0.62 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.19 |
cLogP: | 1.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-39
0.774
MAR-TRE-92684b97-57
0.500
MAR-TRE-be9ff7d2-69
0.434
MAR-TRE-9d18ae8c-93
0.421
MAR-TRE-e82e6c98-81
0.362
MAR-TRE-e82e6c98-65
0.362
MAR-TRE-a9136c7b-96
0.360
MAR-TRE-c317dd82-88
0.360
MAR-TRE-be9ff7d2-75
0.360
MAR-TRE-be9ff7d2-30
0.357
MAR-TRE-e82e6c98-78
0.349
MAR-TRE-e82e6c98-86
0.348
MAR-TRE-a9136c7b-86
0.348
MAR-TRE-be9ff7d2-42
0.346
MAR-TRE-e82e6c98-28
0.345
MAR-TRE-e82e6c98-53
0.345
MAR-TRE-799db12b-92
0.344
MAR-TRE-be9ff7d2-52
0.341
MAR-TRE-c317dd82-46
0.333
MAR-TRE-c317dd82-34
0.333
MAR-TRE-c317dd82-77
0.333
MAR-TRE-e82e6c98-96
0.330
MAR-TRE-a9136c7b-47
0.330
MAR-TRE-c317dd82-18
0.329
MAR-TRE-a9136c7b-95
0.326
MAR-TRE-4f781e27-77
0.326
MAR-TRE-799db12b-29
0.325
MAR-TRE-92684b97-83
0.325
MAR-TRE-c317dd82-65
0.323
MAR-TRE-be9ff7d2-53
0.322
MAR-TRE-799db12b-57
0.322
MAR-TRE-a9136c7b-89
0.322
MAR-TRE-92684b97-28
0.322
MAR-TRE-9d18ae8c-38
0.322
MAR-TRE-be9ff7d2-22
0.321
MAR-TRE-8190bb11-41
0.321
MAR-TRE-c317dd82-8
0.321
MAR-TRE-92684b97-70
0.320
MAR-TRE-a9136c7b-2
0.319
MAR-TRE-e82e6c98-44
0.318
MAR-TRE-9d18ae8c-76
0.316
MAR-TRE-4f781e27-18
0.315
MAR-TRE-c317dd82-89
0.311
MAR-TRE-92684b97-7
0.310
MAR-TRE-4f781e27-8
0.309
MAR-TRE-a9136c7b-63
0.309
MAR-TRE-799db12b-71
0.308
MAR-TRE-c317dd82-85
0.308
MAR-TRE-c317dd82-44
0.307
MAR-TRE-8190bb11-56
0.306
MAR-TRE-be9ff7d2-41
0.305
MAR-TRE-9d18ae8c-78
0.305
MAR-TRE-4f781e27-79
0.303
MAR-TRE-c317dd82-14
0.303
MAR-TRE-be9ff7d2-55
0.303
MAR-TRE-a9136c7b-64
0.303
MAR-TRE-c317dd82-74
0.300
MAR-TRE-c317dd82-49
0.299
MAR-TRE-a9136c7b-29
0.298
MAR-TRE-e82e6c98-22
0.298
MAR-TRE-be9ff7d2-8
0.297
MAR-TRE-c317dd82-69
0.297
MAR-TRE-92684b97-52
0.296
MAR-TRE-a9136c7b-83
0.295
MAR-TRE-be9ff7d2-19
0.294
MAR-TRE-a9136c7b-6
0.294
MAR-TRE-799db12b-13
0.293
MAR-TRE-c317dd82-60
0.293
MAR-TRE-be9ff7d2-20
0.293
MAR-TRE-799db12b-7
0.292
MAR-TRE-c317dd82-80
0.292
MAR-TRE-e82e6c98-99
0.292
MAR-TRE-e82e6c98-21
0.292
MAR-TRE-e82e6c98-94
0.291
MAR-TRE-92684b97-20
0.291
MAR-TRE-c317dd82-50
0.290
MAR-TRE-e82e6c98-85
0.290
MAR-TRE-be9ff7d2-62
0.290
MAR-TRE-4f781e27-89
0.289
MAR-TRE-c317dd82-3
0.289
MAR-TRE-4f781e27-76
0.287
MAR-TRE-e82e6c98-56
0.287
MAR-TRE-e82e6c98-34
0.287
MAR-TRE-c317dd82-82
0.286
MAR-TRE-be9ff7d2-83
0.286
MAR-TRE-e82e6c98-71
0.286
MAR-TRE-be9ff7d2-26
0.286
MAR-TRE-e82e6c98-97
0.286
MAR-TRE-e82e6c98-73
0.286
MAR-TRE-9d18ae8c-96
0.286
MAR-TRE-e82e6c98-69
0.284
MAR-TRE-9d18ae8c-95
0.284
MAR-TRE-e82e6c98-82
0.283
MAR-TRE-799db12b-62
0.283
MAR-TRE-c317dd82-87
0.282
MAR-TRE-799db12b-74
0.282
MAR-TRE-e82e6c98-48
0.282
MAR-TRE-4f781e27-64
0.282
MAR-TRE-c317dd82-21
0.282
MAR-TRE-c317dd82-67
0.281