Molecular Properties | |
SMILES: | O=C(NCCn1cc(C(=O)O)c(=O)[nH]c1=O)c1cncnc1 |
MW: | 305.08 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 147.04 |
cLogP: | -1.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
MAR-TRE-c317dd82-70
0.657
MAR-TRE-be9ff7d2-50
0.521
MAR-TRE-be9ff7d2-18
0.467
MAR-TRE-c317dd82-92
0.459
MAR-TRE-e82e6c98-47
0.451
MAR-TRE-e82e6c98-22
0.427
MAR-TRE-e82e6c98-26
0.425
MAR-TRE-8190bb11-30
0.418
MAR-TRE-8190bb11-96
0.400
MAR-TRE-66ac689e-91
0.398
MAR-TRE-e82e6c98-35
0.392
MAR-TRE-8190bb11-33
0.392
MAR-TRE-c317dd82-55
0.390
MAR-TRE-be9ff7d2-14
0.383
MAR-TRE-4f781e27-7
0.383
MAR-TRE-e82e6c98-76
0.382
MAR-TRE-e82e6c98-12
0.380
MAR-TRE-8190bb11-64
0.364
MAR-TRE-799db12b-68
0.357
MAR-TRE-4f781e27-85
0.355
MAR-TRE-e82e6c98-75
0.354
MAR-TRE-be9ff7d2-49
0.351
MAR-TRE-92684b97-74
0.351
MAR-TRE-be9ff7d2-19
0.350
MAR-TRE-4f781e27-23
0.349
MAR-TRE-be9ff7d2-41
0.346
MAR-TRE-4f781e27-16
0.346
MAR-TRE-e82e6c98-29
0.346
MAR-TRE-be9ff7d2-40
0.346
MAR-TRE-e82e6c98-85
0.341
MAR-TRE-92684b97-78
0.338
MAR-TRE-e82e6c98-48
0.338
MAR-TRE-66ac689e-47
0.337
MAR-TRE-e82e6c98-16
0.333
MAR-TRE-a9136c7b-23
0.330
MAR-TRE-be9ff7d2-95
0.330
MAR-TRE-e82e6c98-5
0.329
MAR-TRE-be9ff7d2-70
0.329
MAR-TRE-be9ff7d2-73
0.326
MAR-TRE-e82e6c98-92
0.326
MAR-TRE-66ac689e-74
0.326
MAR-TRE-be9ff7d2-93
0.325
MAR-TRE-4f781e27-58
0.325
MAR-TRE-e82e6c98-19
0.325
MAR-TRE-66ac689e-59
0.325
MAR-TRE-e82e6c98-68
0.325
MAR-TRE-c317dd82-22
0.323
MAR-TRE-e82e6c98-49
0.322
MAR-TRE-8190bb11-95
0.321
MAR-TRE-c317dd82-6
0.321
MAR-TRE-e82e6c98-60
0.321
MAR-TRE-66ac689e-35
0.321
MAR-TRE-e82e6c98-77
0.321
MAR-TRE-92684b97-52
0.321
MAR-TRE-be9ff7d2-77
0.318
MAR-TRE-e82e6c98-93
0.318
MAR-TRE-4f781e27-28
0.317
MAR-TRE-8190bb11-42
0.316
MAR-TRE-be9ff7d2-5
0.315
MAR-TRE-e82e6c98-51
0.315
MAR-TRE-4f781e27-82
0.315
MAR-TRE-be9ff7d2-92
0.314
MAR-TRE-e82e6c98-64
0.314
MAR-TRE-799db12b-87
0.314
MAR-TRE-8190bb11-46
0.314
MAR-TRE-4f781e27-65
0.314
MAR-TRE-4f781e27-81
0.314
MAR-TRE-92684b97-37
0.314
MAR-TRE-66ac689e-29
0.314
MAR-TRE-e82e6c98-50
0.313
MAR-TRE-66ac689e-26
0.313
MAR-TRE-66ac689e-98
0.313
MAR-TRE-a9136c7b-40
0.312
MAR-TRE-9d18ae8c-89
0.312
MAR-TRE-4f781e27-49
0.312
MAR-TRE-799db12b-64
0.311
MAR-TRE-be9ff7d2-67
0.311
MAR-TRE-c317dd82-14
0.310
MAR-TRE-799db12b-48
0.310
MAR-TRE-92684b97-67
0.310
MAR-TRE-c317dd82-36
0.310
MAR-TRE-4f781e27-96
0.310
MAR-TRE-92684b97-75
0.309
MAR-TRE-a9136c7b-5
0.308
MAR-TRE-be9ff7d2-37
0.307
MAR-TRE-8190bb11-39
0.307
MAR-TRE-4f781e27-48
0.307
MAR-TRE-c317dd82-26
0.307
MAR-TRE-be9ff7d2-89
0.306
MAR-TRE-66ac689e-20
0.306
MAR-TRE-be9ff7d2-33
0.305
MAR-TRE-be9ff7d2-43
0.305
MAR-TRE-be9ff7d2-44
0.305
MAR-TRE-799db12b-84
0.305
MAR-TRE-8190bb11-13
0.304
MAR-TRE-e82e6c98-54
0.304
MAR-TRE-e82e6c98-7
0.304
MAR-TRE-c317dd82-43
0.304
MAR-TRE-8190bb11-73
0.302
MAR-TRE-e82e6c98-8
0.302