Molecular Properties | |
SMILES: | O=C(NCc1cn(CCO)c(=O)[nH]c1=O)c1cncnc1 |
MW: | 291.1 |
Fraction sp3: | 0.25 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 129.97 |
cLogP: | -1.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
MAR-TRE-c317dd82-55
0.597
MAR-TRE-e82e6c98-12
0.580
MAR-TRE-e82e6c98-35
0.571
MAR-TRE-be9ff7d2-32
0.467
MAR-TRE-c317dd82-70
0.461
MAR-TRE-66ac689e-74
0.425
MAR-TRE-e82e6c98-5
0.412
MAR-TRE-8190bb11-42
0.405
MAR-TRE-be9ff7d2-50
0.405
MAR-TRE-e82e6c98-60
0.405
MAR-TRE-be9ff7d2-90
0.392
MAR-TRE-e82e6c98-57
0.387
MAR-TRE-be9ff7d2-67
0.386
MAR-TRE-66ac689e-47
0.386
MAR-TRE-e82e6c98-16
0.385
MAR-TRE-c317dd82-92
0.385
MAR-TRE-92684b97-53
0.383
MAR-TRE-8190bb11-81
0.380
MAR-TRE-8190bb11-82
0.380
MAR-TRE-92684b97-54
0.380
MAR-TRE-66ac689e-29
0.378
MAR-TRE-92684b97-78
0.375
MAR-TRE-a9136c7b-100
0.373
MAR-TRE-799db12b-59
0.373
MAR-TRE-799db12b-65
0.372
MAR-TRE-799db12b-64
0.372
MAR-TRE-92684b97-11
0.372
MAR-TRE-e82e6c98-91
0.370
MAR-TRE-92684b97-74
0.368
MAR-TRE-799db12b-89
0.366
MAR-TRE-799db12b-16
0.366
MAR-TRE-799db12b-7
0.361
MAR-TRE-e82e6c98-64
0.361
MAR-TRE-8190bb11-8
0.360
MAR-TRE-8190bb11-50
0.359
MAR-TRE-8190bb11-27
0.356
MAR-TRE-8190bb11-13
0.355
MAR-TRE-e82e6c98-22
0.354
MAR-TRE-4f781e27-83
0.353
MAR-TRE-a9136c7b-80
0.353
MAR-TRE-be9ff7d2-11
0.351
MAR-TRE-be9ff7d2-49
0.351
MAR-TRE-66ac689e-12
0.350
MAR-TRE-be9ff7d2-17
0.350
MAR-TRE-4f781e27-28
0.350
MAR-TRE-8190bb11-30
0.349
MAR-TRE-66ac689e-21
0.349
MAR-TRE-a9136c7b-11
0.348
MAR-TRE-8190bb11-85
0.347
MAR-TRE-8190bb11-24
0.347
MAR-TRE-8190bb11-96
0.346
MAR-TRE-799db12b-35
0.346
MAR-TRE-e82e6c98-23
0.346
MAR-TRE-be9ff7d2-70
0.346
MAR-TRE-66ac689e-26
0.346
MAR-TRE-be9ff7d2-92
0.345
MAR-TRE-c317dd82-67
0.344
MAR-TRE-e82e6c98-68
0.342
MAR-TRE-66ac689e-37
0.341
MAR-TRE-be9ff7d2-93
0.341
MAR-TRE-92684b97-44
0.341
MAR-TRE-8190bb11-34
0.341
MAR-TRE-799db12b-33
0.341
MAR-TRE-4f781e27-75
0.341
MAR-TRE-799db12b-44
0.337
MAR-TRE-92684b97-81
0.337
MAR-TRE-9d18ae8c-53
0.337
MAR-TRE-be9ff7d2-89
0.337
MAR-TRE-66ac689e-20
0.337
MAR-TRE-4f781e27-92
0.337
MAR-TRE-4f781e27-2
0.337
MAR-TRE-e82e6c98-6
0.337
MAR-TRE-9d18ae8c-52
0.337
MAR-TRE-e82e6c98-49
0.337
MAR-TRE-66ac689e-53
0.337
MAR-TRE-8190bb11-73
0.333
MAR-TRE-8190bb11-86
0.333
MAR-TRE-8190bb11-88
0.333
MAR-TRE-be9ff7d2-77
0.333
MAR-TRE-e82e6c98-18
0.333
MAR-TRE-e82e6c98-26
0.333
MAR-TRE-e82e6c98-93
0.333
MAR-TRE-799db12b-27
0.333
MAR-TRE-66ac689e-1
0.333
MAR-TRE-66ac689e-91
0.333
MAR-TRE-92684b97-82
0.333
MAR-TRE-be9ff7d2-95
0.330
MAR-TRE-799db12b-69
0.330
MAR-TRE-c317dd82-81
0.329
MAR-TRE-799db12b-52
0.329
MAR-TRE-92684b97-96
0.329
MAR-TRE-4f781e27-88
0.329
MAR-TRE-9d18ae8c-74
0.329
MAR-TRE-e82e6c98-76
0.329
MAR-TRE-4f781e27-99
0.329
MAR-TRE-9d18ae8c-89
0.329
MAR-TRE-8190bb11-99
0.326
MAR-TRE-a9136c7b-31
0.326
MAR-TRE-799db12b-14
0.326
MAR-TRE-66ac689e-54
0.326