Molecular Properties | |
SMILES: | O=C(NC(CN1CCCC1=O)c1ccccc1)c1cncnc1 |
MW: | 310.14 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.19 |
cLogP: | 1.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-8190bb11-11
0.528
MAR-TRE-8190bb11-6
0.481
MAR-TRE-8190bb11-93
0.463
MAR-TRE-4f781e27-4
0.463
MAR-TRE-799db12b-49
0.459
MAR-TRE-9d18ae8c-24
0.447
MAR-TRE-a9136c7b-69
0.446
MAR-TRE-66ac689e-92
0.444
MAR-TRE-66ac689e-41
0.442
MAR-TRE-66ac689e-29
0.439
MAR-TRE-8190bb11-28
0.434
MAR-TRE-8190bb11-48
0.434
MAR-TRE-e82e6c98-70
0.432
MAR-TRE-92684b97-86
0.430
MAR-TRE-92684b97-85
0.425
MAR-TRE-9d18ae8c-21
0.410
MAR-TRE-9d18ae8c-80
0.410
MAR-TRE-66ac689e-21
0.410
MAR-TRE-9d18ae8c-59
0.408
MAR-TRE-66ac689e-62
0.408
MAR-TRE-66ac689e-68
0.407
MAR-TRE-4f781e27-91
0.405
MAR-TRE-66ac689e-61
0.405
MAR-TRE-92684b97-56
0.403
MAR-TRE-8190bb11-71
0.403
MAR-TRE-a9136c7b-55
0.402
MAR-TRE-799db12b-50
0.402
MAR-TRE-92684b97-49
0.402
MAR-TRE-799db12b-36
0.398
MAR-TRE-66ac689e-97
0.398
MAR-TRE-92684b97-35
0.397
MAR-TRE-4f781e27-73
0.397
MAR-TRE-8190bb11-59
0.397
MAR-TRE-66ac689e-49
0.397
MAR-TRE-799db12b-45
0.393
MAR-TRE-8190bb11-56
0.390
MAR-TRE-4f781e27-71
0.388
MAR-TRE-66ac689e-18
0.388
MAR-TRE-be9ff7d2-48
0.385
MAR-TRE-9d18ae8c-67
0.383
MAR-TRE-799db12b-47
0.383
MAR-TRE-799db12b-15
0.381
MAR-TRE-799db12b-80
0.381
MAR-TRE-66ac689e-57
0.380
MAR-TRE-92684b97-17
0.380
MAR-TRE-a9136c7b-71
0.379
MAR-TRE-9d18ae8c-40
0.378
MAR-TRE-9d18ae8c-97
0.378
MAR-TRE-66ac689e-79
0.378
MAR-TRE-9d18ae8c-9
0.375
MAR-TRE-8190bb11-47
0.375
MAR-TRE-8190bb11-14
0.372
MAR-TRE-9d18ae8c-99
0.369
MAR-TRE-66ac689e-84
0.369
MAR-TRE-9d18ae8c-50
0.368
MAR-TRE-9d18ae8c-26
0.367
MAR-TRE-8190bb11-61
0.367
MAR-TRE-92684b97-71
0.366
MAR-TRE-66ac689e-95
0.366
MAR-TRE-4f781e27-51
0.365
MAR-TRE-a9136c7b-49
0.365
MAR-TRE-66ac689e-66
0.365
MAR-TRE-9d18ae8c-51
0.364
MAR-TRE-a9136c7b-33
0.361
MAR-TRE-66ac689e-72
0.361
MAR-TRE-66ac689e-80
0.361
MAR-TRE-799db12b-46
0.361
MAR-TRE-799db12b-94
0.361
MAR-TRE-66ac689e-93
0.361
MAR-TRE-92684b97-2
0.360
MAR-TRE-9d18ae8c-78
0.358
MAR-TRE-92684b97-51
0.358
MAR-TRE-8190bb11-10
0.357
MAR-TRE-9d18ae8c-58
0.357
MAR-TRE-4f781e27-45
0.357
MAR-TRE-9d18ae8c-94
0.356
MAR-TRE-8190bb11-46
0.356
MAR-TRE-8190bb11-26
0.356
MAR-TRE-66ac689e-45
0.356
MAR-TRE-92684b97-32
0.356
MAR-TRE-799db12b-69
0.356
MAR-TRE-e82e6c98-30
0.354
MAR-TRE-4f781e27-44
0.353
MAR-TRE-be9ff7d2-93
0.353
MAR-TRE-799db12b-73
0.353
MAR-TRE-66ac689e-87
0.352
MAR-TRE-799db12b-48
0.352
MAR-TRE-9d18ae8c-19
0.352
MAR-TRE-66ac689e-19
0.352
MAR-TRE-92684b97-50
0.350
MAR-TRE-8190bb11-17
0.348
MAR-TRE-be9ff7d2-47
0.346
MAR-TRE-9d18ae8c-28
0.345
MAR-TRE-4f781e27-14
0.345
MAR-TRE-c317dd82-94
0.345
MAR-TRE-4f781e27-68
0.345
MAR-TRE-4f781e27-56
0.345
MAR-TRE-a9136c7b-93
0.345
MAR-TRE-92684b97-98
0.344
MAR-TRE-799db12b-99
0.344