Molecular Properties | |
SMILES: | O=C(NCCC1C(=O)Nc2ccccc21)c1cncnc1 |
MW: | 282.11 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 83.98 |
cLogP: | 1.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-41
0.440
MAR-TRE-66ac689e-35
0.425
MAR-TRE-8190bb11-96
0.403
MAR-TRE-8190bb11-39
0.388
MAR-TRE-4f781e27-100
0.378
MAR-TRE-799db12b-68
0.376
MAR-TRE-92684b97-61
0.369
MAR-TRE-66ac689e-91
0.368
MAR-TRE-66ac689e-67
0.365
MAR-TRE-8190bb11-33
0.361
MAR-TRE-4f781e27-92
0.357
MAR-TRE-e82e6c98-26
0.354
MAR-TRE-4f781e27-7
0.353
MAR-TRE-92684b97-53
0.353
MAR-TRE-8190bb11-30
0.353
MAR-TRE-8190bb11-16
0.350
MAR-TRE-4f781e27-96
0.345
MAR-TRE-66ac689e-37
0.345
MAR-TRE-92684b97-78
0.342
MAR-TRE-9d18ae8c-39
0.342
MAR-TRE-4f781e27-85
0.342
MAR-TRE-e82e6c98-54
0.342
JOH-MEM-5e386bbd-1
0.341
MAR-TRE-e82e6c98-22
0.341
MAR-TRE-c317dd82-70
0.341
MAR-TRE-9d18ae8c-32
0.341
MAR-TRE-9d18ae8c-36
0.341
MAR-TRE-9d18ae8c-61
0.338
MAR-TRE-c317dd82-92
0.337
MAR-TRE-be9ff7d2-19
0.337
MAR-TRE-e82e6c98-18
0.337
MAR-TRE-799db12b-16
0.337
MAR-TRE-799db12b-89
0.337
MAR-TRE-4f781e27-23
0.337
MAR-TRE-8190bb11-24
0.333
MAR-TRE-4f781e27-49
0.333
MAR-TRE-e82e6c98-76
0.333
MAR-TRE-799db12b-52
0.333
MAR-TRE-66ac689e-26
0.333
MAR-TRE-66ac689e-29
0.333
MAR-TRE-8190bb11-46
0.333
MAR-TRE-8190bb11-85
0.333
MAR-TRE-9d18ae8c-74
0.333
MAR-TRE-92684b97-54
0.333
MAR-TRE-a9136c7b-23
0.333
MAR-TRE-799db12b-51
0.333
MAR-TRE-799db12b-4
0.330
MAR-TRE-9d18ae8c-34
0.330
MAR-TRE-799db12b-65
0.330
MAR-TRE-799db12b-97
0.330
MAR-TRE-9d18ae8c-54
0.330
MAR-TRE-9d18ae8c-18
0.330
MAR-TRE-9d18ae8c-46
0.330
MAR-TRE-e82e6c98-10
0.330
MAR-TRE-66ac689e-73
0.329
MAR-TRE-4f781e27-76
0.329
MAR-TRE-4f781e27-19
0.329
MAR-TRE-a9136c7b-4
0.327
MAR-TRE-9d18ae8c-91
0.326
MAR-TRE-66ac689e-47
0.326
MAR-TRE-4f781e27-2
0.326
MAR-TRE-9d18ae8c-52
0.326
MAR-TRE-4f781e27-83
0.326
MAR-TRE-8190bb11-95
0.326
MAR-TRE-9d18ae8c-53
0.326
MAR-TRE-799db12b-44
0.326
MAR-TRE-c317dd82-87
0.325
MAR-TRE-799db12b-84
0.325
MAR-TRE-8190bb11-13
0.325
MAR-TRE-e82e6c98-47
0.325
MAR-TRE-92684b97-52
0.325
MAR-TRE-8190bb11-64
0.323
MAR-TRE-9d18ae8c-16
0.323
MAR-TRE-66ac689e-1
0.322
MAR-TRE-8190bb11-86
0.322
MAR-TRE-92684b97-82
0.322
MAR-TRE-9d18ae8c-79
0.322
MAR-TRE-66ac689e-21
0.322
MAR-TRE-799db12b-27
0.322
MAR-TRE-9d18ae8c-6
0.322
MAR-TRE-4f781e27-31
0.321
MAR-TRE-4f781e27-28
0.321
MAR-TRE-8190bb11-42
0.321
MAR-TRE-a9136c7b-14
0.320
MAR-TRE-9d18ae8c-43
0.319
MAR-TRE-92684b97-28
0.318
MAR-TRE-9d18ae8c-98
0.318
MAR-TRE-92684b97-96
0.318
MAR-TRE-799db12b-7
0.318
MAR-TRE-e82e6c98-50
0.318
MAR-TRE-4f781e27-54
0.318
MAR-TRE-8190bb11-81
0.318
MAR-TRE-8190bb11-82
0.318
MAR-TRE-e82e6c98-12
0.318
MAR-TRE-799db12b-35
0.317
MAR-TRE-8190bb11-65
0.317
MAR-TRE-9d18ae8c-89
0.317
MAR-TRE-4f781e27-99
0.317
MAR-TRE-be9ff7d2-67
0.316
MAR-TRE-e82e6c98-25
0.316