Molecular Properties | |
SMILES: | O=C(Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)c1cncnc1 |
MW: | 356.07 |
Fraction sp3: | 0.0 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 126.83 |
cLogP: | 1.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
Hetero_hetero
MAR-TRE-66ac689e-10
0.658
MAR-TRE-66ac689e-25
0.648
MAR-TRE-799db12b-25
0.630
MAR-TRE-799db12b-86
0.595
MAR-TRE-799db12b-37
0.579
MAR-TRE-9d18ae8c-77
0.538
MAR-TRE-799db12b-34
0.513
MAR-TRE-9d18ae8c-82
0.494
MAR-TRE-66ac689e-65
0.494
MAR-TRE-8190bb11-4
0.427
MAR-TRE-799db12b-43
0.422
MAR-TRE-a9136c7b-57
0.422
MAR-TRE-66ac689e-31
0.415
MAR-TRE-799db12b-39
0.412
MAR-TRE-9d18ae8c-2
0.412
MAR-TRE-92684b97-55
0.407
MAR-TRE-799db12b-40
0.400
MAR-TRE-a9136c7b-42
0.398
MAR-TRE-799db12b-2
0.393
MAR-TRE-9d18ae8c-18
0.393
MAR-TRE-799db12b-26
0.391
MAR-TRE-66ac689e-8
0.390
MAR-TRE-4f781e27-2
0.388
MAR-TRE-4f781e27-47
0.388
MAR-TRE-92684b97-9
0.380
MAR-TRE-9d18ae8c-47
0.378
MAR-TRE-92684b97-6
0.375
MAR-TRE-c317dd82-59
0.372
MAR-TRE-e82e6c98-74
0.372
MAR-TRE-4f781e27-12
0.372
MAR-TRE-66ac689e-30
0.370
MAR-TRE-8190bb11-87
0.369
MAR-TRE-92684b97-25
0.368
MAR-TRE-9d18ae8c-9
0.368
MAR-TRE-9d18ae8c-7
0.368
MAR-TRE-9d18ae8c-11
0.364
MAR-TRE-66ac689e-27
0.361
KEI-TRE-d5e2018a-28
0.360
MAR-TRE-f6f5f473-29
0.360
MAR-TRE-4f781e27-43
0.358
MAR-TRE-9d18ae8c-52
0.356
MAR-TRE-799db12b-93
0.356
MAR-TRE-a9136c7b-9
0.356
MAR-TRE-9d18ae8c-10
0.356
MAR-TRE-9d18ae8c-49
0.356
MAR-TRE-e82e6c98-80
0.354
MAR-TRE-4f781e27-67
0.352
MAR-TRE-9d18ae8c-43
0.348
MAR-TRE-799db12b-17
0.348
MAR-TRE-be9ff7d2-23
0.346
MAR-TRE-66ac689e-37
0.345
MAR-TRE-66ac689e-73
0.345
MAR-TRE-e82e6c98-38
0.345
MAR-TRE-799db12b-3
0.345
MAR-TRE-799db12b-97
0.344
MAR-TRE-9d18ae8c-34
0.344
MAR-TRE-799db12b-74
0.341
MAR-TRE-92684b97-89
0.341
MAR-TRE-92684b97-90
0.341
MAR-TRE-9d18ae8c-53
0.341
MAR-TRE-9d18ae8c-44
0.341
MAR-TRE-9d18ae8c-30
0.341
MAR-TRE-4f781e27-1
0.341
MAR-TRE-66ac689e-72
0.337
MAR-TRE-c317dd82-91
0.337
MAR-TRE-a9136c7b-84
0.337
MAR-TRE-799db12b-16
0.337
MAR-TRE-799db12b-27
0.337
MAR-TRE-9d18ae8c-16
0.337
MAR-TRE-799db12b-51
0.333
MAR-TRE-4f781e27-62
0.333
MAR-TRE-9d18ae8c-15
0.333
MAR-TRE-4f781e27-49
0.333
MAR-TRE-799db12b-14
0.330
MAR-TRE-9d18ae8c-54
0.330
MAR-TRE-799db12b-24
0.330
MAR-TRE-799db12b-33
0.330
MAR-TRE-e82e6c98-58
0.329
MAR-TRE-66ac689e-50
0.329
MAR-TRE-92684b97-58
0.329
MAR-TRE-799db12b-73
0.329
MAR-TRE-66ac689e-32
0.329
MAR-TRE-a9136c7b-43
0.329
MAR-TRE-9d18ae8c-36
0.326
MAR-TRE-c317dd82-16
0.326
MAR-TRE-799db12b-76
0.323
MAR-TRE-8190bb11-15
0.321
MAR-TRE-92684b97-60
0.321
MAR-TRE-66ac689e-40
0.318
MAR-TRE-66ac689e-51
0.318
MAR-TRE-9d18ae8c-58
0.318
MAR-TRE-be9ff7d2-6
0.318
MAR-TRE-4f781e27-87
0.317
MAR-TRE-66ac689e-88
0.317
MAR-TRE-8190bb11-65
0.317
MAR-TRE-92684b97-59
0.317
MAR-TRE-be9ff7d2-58
0.317
AHN-SAT-de2502ba-6
0.317
MAR-TRE-6a44bbf2-43
0.317
MAR-TRE-8190bb11-32
0.317