Molecular Properties | |
SMILES: | CN(C)S(=O)(=O)NC(CNC(=O)c1cncnc1)C1CCCC1 |
MW: | 341.15 |
Fraction sp3: | 0.64 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 104.29 |
cLogP: | 0.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
MAR-TRE-e82e6c98-56
0.418
MAR-TRE-be9ff7d2-54
0.402
MAR-TRE-4f781e27-36
0.383
MAR-TRE-799db12b-35
0.372
MAR-TRE-be9ff7d2-43
0.362
MAR-TRE-92684b97-88
0.362
MAR-TRE-c317dd82-88
0.360
MAR-TRE-be9ff7d2-49
0.359
MAR-TRE-a9136c7b-54
0.358
MAR-TRE-8190bb11-24
0.355
MAR-TRE-799db12b-87
0.353
MAR-TRE-92684b97-75
0.350
MAR-TRE-9d18ae8c-93
0.350
MAR-TRE-799db12b-48
0.349
MAR-TRE-92684b97-52
0.346
MAR-TRE-4f781e27-41
0.346
MAR-TRE-92684b97-72
0.346
MAR-TRE-92684b97-47
0.345
MAR-TRE-8190bb11-68
0.345
MAR-TRE-92684b97-46
0.345
MAR-TRE-92684b97-57
0.342
MAR-TRE-4f781e27-22
0.341
MAR-TRE-92684b97-39
0.341
MAR-TRE-92684b97-91
0.341
MAR-TRE-a9136c7b-29
0.341
MAR-TRE-be9ff7d2-67
0.338
MAR-TRE-c317dd82-98
0.338
MAR-TRE-4f781e27-84
0.338
MAR-TRE-66ac689e-98
0.337
MAR-TRE-9d18ae8c-76
0.333
MAR-TRE-4f781e27-76
0.333
MAR-TRE-4f781e27-89
0.333
MAR-TRE-a9136c7b-5
0.330
MAR-TRE-a9136c7b-78
0.330
MAR-TRE-c317dd82-74
0.330
MAR-TRE-9d18ae8c-36
0.330
MAR-TRE-92684b97-11
0.329
MAR-TRE-be9ff7d2-42
0.329
MAR-TRE-e82e6c98-48
0.329
MAR-TRE-e82e6c98-47
0.329
MAR-TRE-be9ff7d2-88
0.329
MAR-TRE-be9ff7d2-90
0.329
MAR-TRE-8190bb11-13
0.329
MAR-TRE-8190bb11-9
0.326
MAR-TRE-92684b97-33
0.326
MAR-TRE-e82e6c98-14
0.326
MAR-TRE-8190bb11-73
0.326
MAR-TRE-92684b97-62
0.326
MAR-TRE-be9ff7d2-17
0.325
MAR-TRE-66ac689e-12
0.325
MAR-TRE-92684b97-83
0.325
MAR-TRE-be9ff7d2-19
0.325
MAR-TRE-be9ff7d2-11
0.325
MAR-TRE-4f781e27-11
0.323
MAR-TRE-c317dd82-67
0.323
MAR-TRE-8190bb11-18
0.322
MAR-TRE-c317dd82-85
0.322
MAR-TRE-be9ff7d2-57
0.322
MAR-TRE-9d18ae8c-86
0.322
MAR-TRE-be9ff7d2-41
0.321
MAR-TRE-4f781e27-99
0.321
MAR-TRE-9d18ae8c-96
0.320
MAR-TRE-799db12b-65
0.319
MAR-TRE-9d18ae8c-34
0.319
MAR-TRE-e82e6c98-40
0.318
MAR-TRE-e82e6c98-10
0.318
MAR-TRE-8190bb11-33
0.318
MAR-TRE-9d18ae8c-57
0.318
MAR-TRE-8190bb11-50
0.317
MAR-TRE-66ac689e-3
0.317
MAR-TRE-be9ff7d2-51
0.315
MAR-TRE-66ac689e-47
0.315
MAR-TRE-c317dd82-6
0.314
MAR-TRE-a9136c7b-24
0.314
MAR-TRE-9d18ae8c-84
0.314
MAR-TRE-4f781e27-64
0.313
MAR-TRE-c317dd82-49
0.312
MAR-TRE-e82e6c98-77
0.312
MAR-TRE-9d18ae8c-16
0.312
MAR-TRE-e82e6c98-82
0.311
MAR-TRE-799db12b-62
0.311
MAR-TRE-8190bb11-76
0.311
MAR-TRE-c317dd82-4
0.310
MAR-TRE-be9ff7d2-12
0.310
MAR-TRE-e82e6c98-8
0.310
MAR-TRE-4f781e27-7
0.310
MAR-TRE-e82e6c98-61
0.310
MAR-TRE-be9ff7d2-35
0.310
MAR-TRE-799db12b-29
0.310
MAR-TRE-e82e6c98-26
0.309
MAR-TRE-92684b97-74
0.309
MAR-TRE-a9136c7b-83
0.309
MAR-TRE-799db12b-18
0.309
MAR-TRE-4f781e27-8
0.309
MAR-TRE-c317dd82-5
0.308
MAR-TRE-c317dd82-60
0.308
MAR-TRE-a9136c7b-76
0.308
MAR-TRE-799db12b-13
0.308
MAR-TRE-be9ff7d2-81
0.307
MAR-TRE-e82e6c98-2
0.307