Molecular Properties | |
SMILES: | O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1cncnc1 |
MW: | 345.09 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 113.41 |
cLogP: | 1.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
Hetero_hetero
MAR-TRE-66ac689e-76
0.630
MAR-TRE-66ac689e-25
0.622
MAR-TRE-66ac689e-10
0.590
MAR-TRE-799db12b-86
0.551
MAR-TRE-799db12b-37
0.537
MAR-TRE-9d18ae8c-77
0.519
MAR-TRE-799db12b-34
0.494
MAR-TRE-9d18ae8c-82
0.476
MAR-TRE-66ac689e-65
0.458
MAR-TRE-a9136c7b-57
0.424
MAR-TRE-66ac689e-31
0.400
MAR-TRE-a9136c7b-42
0.400
MAR-TRE-9d18ae8c-2
0.398
MAR-TRE-8190bb11-4
0.395
MAR-TRE-799db12b-40
0.386
MAR-TRE-799db12b-39
0.381
MAR-TRE-66ac689e-8
0.376
MAR-TRE-92684b97-55
0.376
MAR-TRE-799db12b-43
0.375
MAR-TRE-4f781e27-47
0.375
MAR-TRE-92684b97-9
0.366
MAR-TRE-9d18ae8c-18
0.364
MAR-TRE-4f781e27-2
0.360
MAR-TRE-66ac689e-30
0.357
MAR-TRE-92684b97-25
0.356
MAR-TRE-9d18ae8c-9
0.356
MAR-TRE-66ac689e-27
0.349
MAR-TRE-9d18ae8c-47
0.349
MAR-TRE-799db12b-2
0.348
MAR-TRE-9d18ae8c-44
0.344
MAR-TRE-a9136c7b-9
0.344
MAR-TRE-8190bb11-87
0.341
MAR-TRE-9d18ae8c-7
0.341
MAR-TRE-9d18ae8c-15
0.337
MAR-TRE-9d18ae8c-11
0.337
MAR-TRE-799db12b-1
0.333
MAR-TRE-799db12b-26
0.333
MAR-TRE-f6f5f473-29
0.333
KEI-TRE-d5e2018a-28
0.333
MAR-TRE-4f781e27-98
0.330
MAR-TRE-9d18ae8c-10
0.330
MAR-TRE-9d18ae8c-49
0.330
MAR-TRE-799db12b-93
0.330
MAR-TRE-9d18ae8c-52
0.330
MAR-TRE-92684b97-23
0.330
MAR-TRE-4f781e27-43
0.329
MAR-TRE-799db12b-74
0.329
MAR-TRE-4f781e27-67
0.326
MAR-TRE-799db12b-27
0.326
MAR-TRE-66ac689e-72
0.326
MAR-TRE-e82e6c98-74
0.325
MAR-TRE-e82e6c98-80
0.325
MAR-TRE-4f781e27-12
0.325
MAR-TRE-799db12b-51
0.323
MAR-TRE-9d18ae8c-43
0.323
MAR-TRE-9d18ae8c-58
0.322
MAR-TRE-799db12b-14
0.319
MAR-TRE-799db12b-97
0.319
MAR-TRE-9d18ae8c-34
0.319
MAR-TRE-e82e6c98-38
0.319
MAR-TRE-799db12b-3
0.319
MAR-TRE-799db12b-24
0.319
MAR-TRE-799db12b-33
0.319
MAR-TRE-799db12b-53
0.318
MAR-TRE-799db12b-73
0.318
MAR-TRE-66ac689e-22
0.318
MAR-TRE-66ac689e-37
0.318
MAR-TRE-4f781e27-63
0.318
MAR-TRE-66ac689e-73
0.318
MAR-TRE-66ac689e-32
0.318
MAR-TRE-be9ff7d2-56
0.316
MAR-TRE-c317dd82-59
0.315
MAR-TRE-92684b97-30
0.315
MAR-TRE-9d18ae8c-30
0.315
MAR-TRE-9d18ae8c-36
0.315
MAR-TRE-799db12b-88
0.315
MAR-TRE-92684b97-89
0.315
MAR-TRE-9d18ae8c-53
0.315
MAR-TRE-9d18ae8c-16
0.312
MAR-TRE-8190bb11-100
0.312
MAR-TRE-4f781e27-52
0.312
MAR-TRE-a9136c7b-61
0.311
MAR-TRE-799db12b-16
0.311
MAR-TRE-8190bb11-7
0.311
MAR-TRE-2fd8122f-71
0.311
MAR-TRE-c317dd82-91
0.310
MAR-TRE-8190bb11-15
0.310
MAR-TRE-92684b97-60
0.310
MAR-TRE-92684b97-35
0.310
MAR-TRE-92684b97-42
0.308
MAR-TRE-66ac689e-51
0.307
MAR-TRE-9d18ae8c-100
0.307
MAR-TRE-799db12b-4
0.306
MAR-TRE-8190bb11-65
0.306
MAR-TRE-4f781e27-62
0.306
MAR-TRE-8190bb11-32
0.306
MAR-TRE-4f781e27-87
0.306
MAR-TRE-92684b97-59
0.306
MAR-TRE-92684b97-6
0.305
MAR-TRE-4f781e27-49
0.305