Molecular Properties | |
SMILES: | O=C(NC(Cc1cc(Cl)cnc1Cl)C(=O)O)c1cncnc1 |
MW: | 340.01 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 105.07 |
cLogP: | 1.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-chloropyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
MAR-TRE-e82e6c98-20
0.559
MAR-TRE-66ac689e-48
0.549
MAR-TRE-e82e6c98-100
0.507
MAR-TRE-66ac689e-81
0.493
MAR-TRE-be9ff7d2-21
0.481
MAR-TRE-66ac689e-87
0.481
MAR-TRE-be9ff7d2-9
0.475
MAR-TRE-be9ff7d2-10
0.475
MAR-TRE-4f781e27-24
0.472
MAR-TRE-4f781e27-94
0.469
MAR-TRE-92684b97-5
0.462
MAR-TRE-92684b97-97
0.457
MAR-TRE-be9ff7d2-84
0.453
MAR-TRE-4f781e27-39
0.444
MAR-TRE-92684b97-41
0.438
MAR-TRE-4f781e27-93
0.438
MAR-TRE-8190bb11-17
0.438
MAR-TRE-4f781e27-56
0.436
MAR-TRE-92684b97-8
0.434
MAR-TRE-92684b97-98
0.432
MAR-TRE-8190bb11-48
0.425
MAR-TRE-8190bb11-23
0.422
MAR-TRE-66ac689e-19
0.405
MAR-TRE-c317dd82-41
0.400
MAR-TRE-799db12b-61
0.395
MAR-TRE-c317dd82-95
0.393
MAR-TRE-e82e6c98-79
0.392
MAR-TRE-8190bb11-59
0.387
MAR-TRE-92684b97-80
0.382
MAR-TRE-a9136c7b-66
0.382
MAR-TRE-e82e6c98-43
0.378
MAR-TRE-8190bb11-54
0.377
MAR-TRE-799db12b-96
0.377
MAR-TRE-be9ff7d2-93
0.375
MAR-TRE-799db12b-12
0.375
MAR-TRE-4f781e27-26
0.375
MAR-TRE-be9ff7d2-48
0.373
MAR-TRE-a9136c7b-36
0.372
MAR-TRE-92684b97-16
0.369
MAR-TRE-8190bb11-91
0.365
MAR-TRE-799db12b-95
0.365
MAR-TRE-4f781e27-70
0.360
MAR-TRE-66ac689e-41
0.359
MAR-TRE-799db12b-23
0.359
MAR-TRE-e82e6c98-46
0.357
MAR-TRE-4f781e27-69
0.356
MAR-TRE-c317dd82-38
0.356
MAR-TRE-8190bb11-71
0.355
MAR-TRE-799db12b-15
0.354
MAR-TRE-4f781e27-6
0.352
MAR-TRE-a9136c7b-22
0.352
MAR-TRE-4f781e27-5
0.352
MAR-TRE-92684b97-35
0.351
MAR-TRE-66ac689e-49
0.351
MAR-TRE-8190bb11-28
0.351
MAR-TRE-c317dd82-94
0.350
MAR-TRE-66ac689e-92
0.349
MAR-TRE-e82e6c98-70
0.347
MAR-TRE-92684b97-51
0.346
MAR-TRE-8190bb11-11
0.346
MAR-TRE-e82e6c98-13
0.346
MAR-TRE-4f781e27-27
0.345
MAR-TRE-92684b97-32
0.345
MAR-TRE-9d18ae8c-59
0.342
MAR-TRE-e82e6c98-71
0.342
MAR-TRE-a9136c7b-48
0.342
MAR-TRE-8190bb11-97
0.342
MAR-TRE-a9136c7b-55
0.341
MAR-TRE-66ac689e-84
0.341
MAR-TRE-e82e6c98-34
0.341
MAR-TRE-8190bb11-70
0.341
MAR-TRE-8190bb11-35
0.341
MAR-TRE-92684b97-50
0.338
MAR-TRE-92684b97-72
0.338
MAR-TRE-be9ff7d2-16
0.338
MAR-TRE-9d18ae8c-67
0.338
LON-WEI-1908424e-9
0.337
MAR-TRE-8190bb11-6
0.333
MAR-TRE-e82e6c98-72
0.333
MAR-TRE-be9ff7d2-47
0.333
MAR-TRE-e82e6c98-57
0.333
MAR-TRE-a9136c7b-33
0.333
MAR-TRE-66ac689e-56
0.333
MAR-TRE-66ac689e-64
0.333
MAR-TRE-66ac689e-79
0.333
MAR-TRE-66ac689e-80
0.333
MAR-TRE-4f781e27-68
0.333
MAR-TRE-92684b97-17
0.333
MAR-TRE-92684b97-86
0.333
MAR-TRE-92684b97-92
0.333
MAR-TRE-e82e6c98-51
0.330
MAR-TRE-a9136c7b-91
0.329
MAR-TRE-799db12b-79
0.329
MAR-TRE-9d18ae8c-26
0.326
MAR-TRE-e82e6c98-88
0.326
MAR-TRE-9d18ae8c-50
0.326
MAR-TRE-92684b97-18
0.326
MAR-TRE-799db12b-100
0.325
MAR-TRE-be9ff7d2-86
0.325
MAR-TRE-4f781e27-44
0.325