Molecular Properties | |
SMILES: | O=C(NC(Cn1ccc(=O)[nH]c1=O)C(=O)O)c1cncnc1 |
MW: | 305.08 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 147.04 |
cLogP: | -1.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
MAR-TRE-c317dd82-92
0.500
MAR-TRE-c317dd82-95
0.463
MAR-TRE-8190bb11-48
0.444
MAR-TRE-e82e6c98-20
0.432
MAR-TRE-e82e6c98-100
0.427
MAR-TRE-4f781e27-39
0.425
MAR-TRE-92684b97-41
0.419
MAR-TRE-4f781e27-56
0.400
MAR-TRE-be9ff7d2-84
0.397
MAR-TRE-66ac689e-81
0.397
MAR-TRE-4f781e27-24
0.395
MAR-TRE-e82e6c98-79
0.392
MAR-TRE-66ac689e-48
0.392
MAR-TRE-66ac689e-87
0.390
MAR-TRE-8190bb11-23
0.388
MAR-TRE-c317dd82-21
0.380
MAR-TRE-e82e6c98-30
0.378
MAR-TRE-66ac689e-18
0.377
MAR-TRE-be9ff7d2-61
0.375
MAR-TRE-92684b97-5
0.373
MAR-TRE-92684b97-97
0.372
MAR-TRE-8190bb11-35
0.372
MAR-TRE-be9ff7d2-16
0.372
MAR-TRE-be9ff7d2-47
0.370
MAR-TRE-4f781e27-93
0.369
MAR-TRE-8190bb11-17
0.369
MAR-TRE-66ac689e-57
0.368
MAR-TRE-e82e6c98-72
0.368
MAR-TRE-92684b97-8
0.368
MAR-TRE-e82e6c98-70
0.365
MAR-TRE-92684b97-98
0.365
MAR-TRE-c317dd82-41
0.361
MAR-TRE-9d18ae8c-59
0.360
MAR-TRE-e82e6c98-71
0.359
MAR-TRE-66ac689e-41
0.359
MAR-TRE-799db12b-50
0.358
MAR-TRE-be9ff7d2-21
0.357
MAR-TRE-be9ff7d2-9
0.356
MAR-TRE-66ac689e-19
0.356
MAR-TRE-be9ff7d2-10
0.356
MAR-TRE-8190bb11-71
0.355
MAR-TRE-c317dd82-96
0.355
MAR-TRE-92684b97-56
0.355
MAR-TRE-92684b97-50
0.355
MAR-TRE-a9136c7b-69
0.353
MAR-TRE-8190bb11-90
0.353
MAR-TRE-4f781e27-94
0.352
MAR-TRE-85681e92-57
0.348
MAR-TRE-8190bb11-91
0.347
MAR-TRE-799db12b-95
0.347
MAR-TRE-92684b97-51
0.346
MAR-TRE-8190bb11-47
0.346
MAR-TRE-9d18ae8c-21
0.346
MAR-TRE-be9ff7d2-18
0.341
MAR-TRE-e82e6c98-34
0.341
MAR-TRE-8190bb11-70
0.341
MAR-TRE-c317dd82-48
0.338
MAR-TRE-92684b97-27
0.338
MAR-TRE-799db12b-47
0.338
MAR-TRE-be9ff7d2-50
0.337
MAR-TRE-be9ff7d2-97
0.337
MAR-TRE-a9136c7b-49
0.337
MAR-TRE-66ac689e-97
0.337
MAR-TRE-799db12b-80
0.337
MAR-TRE-799db12b-46
0.333
MAR-TRE-92684b97-17
0.333
MAR-TRE-8190bb11-59
0.333
MAR-TRE-92684b97-35
0.333
MAR-TRE-92684b97-86
0.333
MAR-TRE-9d18ae8c-97
0.333
MAR-TRE-799db12b-31
0.333
MAR-TRE-8190bb11-28
0.333
MAR-TRE-66ac689e-93
0.333
MAR-TRE-e82e6c98-52
0.333
MAR-TRE-799db12b-94
0.333
MAR-TRE-4f781e27-28
0.333
MAR-TRE-4f781e27-27
0.330
MAR-TRE-66ac689e-45
0.329
MAR-TRE-799db12b-79
0.329
MAR-TRE-8190bb11-10
0.329
MAR-TRE-66ac689e-100
0.329
MAR-TRE-9d18ae8c-64
0.329
MAR-TRE-8190bb11-11
0.329
MAR-TRE-92684b97-80
0.329
MAR-TRE-a9136c7b-66
0.329
MAR-TRE-c317dd82-38
0.326
MAR-TRE-4f781e27-69
0.326
MAR-TRE-799db12b-28
0.326
MAR-TRE-a9136c7b-55
0.325
MAR-TRE-66ac689e-84
0.325
MAR-TRE-9d18ae8c-8
0.325
MAR-TRE-be9ff7d2-32
0.325
MAR-TRE-be9ff7d2-86
0.325
MAR-TRE-799db12b-23
0.325
MAR-TRE-8190bb11-97
0.325
MAR-TRE-799db12b-96
0.325
MAR-TRE-8190bb11-54
0.325
MAR-TRE-799db12b-61
0.325
MAR-TRE-4f781e27-91
0.325
MAR-TRE-9d18ae8c-88
0.325