Molecular Properties | |
SMILES: | O=C(Nc1cccc(S(=O)(=O)Nc2cn[nH]c2)c1)c1cncnc1 |
MW: | 344.07 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 129.73 |
cLogP: | 1.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
Hetero_hetero
MAR-TRE-66ac689e-76
0.648
MAR-TRE-799db12b-25
0.622
MAR-TRE-66ac689e-10
0.605
MAR-TRE-799db12b-86
0.587
MAR-TRE-799db12b-37
0.551
MAR-TRE-9d18ae8c-77
0.532
MAR-TRE-9d18ae8c-82
0.488
MAR-TRE-799db12b-34
0.487
MAR-TRE-66ac689e-65
0.469
MAR-TRE-8190bb11-4
0.422
MAR-TRE-a9136c7b-57
0.400
MAR-TRE-66ac689e-31
0.393
MAR-TRE-92684b97-9
0.392
MAR-TRE-9d18ae8c-2
0.390
MAR-TRE-799db12b-39
0.390
MAR-TRE-92684b97-55
0.386
MAR-TRE-66ac689e-8
0.386
MAR-TRE-799db12b-43
0.384
MAR-TRE-4f781e27-47
0.384
MAR-TRE-799db12b-40
0.379
MAR-TRE-92684b97-25
0.379
MAR-TRE-a9136c7b-42
0.376
MAR-TRE-f6f5f473-29
0.372
KEI-TRE-d5e2018a-28
0.372
MAR-TRE-799db12b-26
0.371
MAR-TRE-a9136c7b-9
0.367
MAR-TRE-8190bb11-87
0.365
MAR-TRE-8190bb11-14
0.360
MAR-TRE-66ac689e-27
0.357
MAR-TRE-9d18ae8c-47
0.357
MAR-TRE-799db12b-2
0.356
MAR-TRE-9d18ae8c-18
0.356
MAR-TRE-4f781e27-2
0.352
MAR-TRE-9d18ae8c-49
0.352
MAR-TRE-4f781e27-12
0.350
CAS-DEP-167c18e3-4
0.349
MAR-TRE-66ac689e-30
0.349
MAR-TRE-9d18ae8c-9
0.348
MAR-TRE-9d18ae8c-7
0.348
MAR-TRE-9d18ae8c-11
0.344
MAR-TRE-4f781e27-43
0.337
MAR-TRE-799db12b-93
0.337
MAR-TRE-9d18ae8c-44
0.337
MAR-TRE-9d18ae8c-52
0.337
MAR-TRE-9d18ae8c-10
0.337
MAR-TRE-66ac689e-72
0.333
MAR-TRE-92684b97-60
0.333
MAR-TRE-e82e6c98-74
0.333
MAR-TRE-799db12b-27
0.333
MAR-TRE-8190bb11-15
0.333
MAR-TRE-9d18ae8c-43
0.330
MAR-TRE-92684b97-59
0.329
MAR-TRE-9d18ae8c-15
0.329
MAR-TRE-e82e6c98-63
0.329
MAR-TRE-92684b97-6
0.326
MAR-TRE-e82e6c98-38
0.326
MAR-TRE-799db12b-3
0.326
MAR-TRE-799db12b-33
0.326
MAR-TRE-66ac689e-37
0.326
MAR-TRE-e82e6c98-58
0.326
MAR-TRE-799db12b-73
0.326
MAR-TRE-66ac689e-73
0.326
MAR-TRE-be9ff7d2-23
0.325
MAR-TRE-66ac689e-32
0.325
MAR-TRE-8190bb11-1
0.325
MAR-TRE-8190bb11-60
0.325
MAR-TRE-c317dd82-56
0.323
MAR-TRE-9d18ae8c-30
0.322
MAR-TRE-92684b97-89
0.322
MAR-TRE-9d18ae8c-53
0.322
MAR-TRE-799db12b-74
0.321
MAR-TRE-4f781e27-67
0.319
MAR-TRE-799db12b-16
0.318
MAR-TRE-e82e6c98-80
0.317
MAR-TRE-2fd8122f-71
0.317
MAR-TRE-799db12b-51
0.315
MAR-TRE-9d18ae8c-58
0.314
MAR-TRE-8190bb11-32
0.313
MAR-TRE-4f781e27-62
0.313
MAR-TRE-4f781e27-87
0.313
MAR-TRE-66ac689e-88
0.313
MAR-TRE-799db12b-1
0.312
MAR-TRE-4f781e27-49
0.312
MAR-TRE-9d18ae8c-34
0.312
MAR-TRE-799db12b-14
0.312
MAR-TRE-799db12b-97
0.312
MAR-TRE-799db12b-24
0.311
MAR-TRE-9d18ae8c-54
0.311
MAR-TRE-799db12b-5
0.310
MAR-TRE-66ac689e-22
0.310
MAR-TRE-4f781e27-98
0.310
MAR-TRE-c317dd82-16
0.308
MAR-TRE-c317dd82-59
0.308
MAR-TRE-be9ff7d2-56
0.308
MAR-TRE-9d18ae8c-36
0.308
MAR-TRE-66ac689e-13
0.306
MAR-TRE-8190bb11-37
0.306
MAR-TRE-9d18ae8c-16
0.305
MAR-TRE-92684b97-21
0.305
MAR-TRE-8190bb11-100
0.304