Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2)c1cncnc1 |
MW: | 353.01 |
Fraction sp3: | 0.15 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 123.16 |
cLogP: | 0.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-92684b97-94
0.527
MAR-TRE-4f781e27-97
0.520
MAR-TRE-92684b97-30
0.520
MAR-TRE-92684b97-23
0.520
MAR-TRE-92684b97-60
0.515
MAR-TRE-4f781e27-52
0.513
MAR-TRE-4f781e27-87
0.507
MAR-TRE-92684b97-59
0.507
MAR-TRE-4f781e27-62
0.507
MAR-TRE-8190bb11-32
0.507
MAR-TRE-66ac689e-32
0.500
MAR-TRE-8190bb11-1
0.500
MAR-TRE-8190bb11-60
0.500
MAR-TRE-4f781e27-10
0.494
MAR-TRE-66ac689e-6
0.493
MAR-TRE-799db12b-53
0.493
MAR-TRE-8190bb11-37
0.493
MAR-TRE-66ac689e-13
0.493
MAR-TRE-66ac689e-16
0.486
MAR-TRE-a9136c7b-61
0.480
MAR-TRE-92684b97-9
0.479
MAR-TRE-be9ff7d2-23
0.479
MAR-TRE-799db12b-5
0.473
MAR-TRE-e82e6c98-63
0.471
MAR-TRE-a9136c7b-79
0.463
MAR-TRE-8190bb11-87
0.461
MAR-TRE-4f781e27-46
0.457
MAR-TRE-9d18ae8c-47
0.453
MAR-TRE-a9136c7b-39
0.451
MAR-TRE-8190bb11-94
0.449
MAR-TRE-9d18ae8c-44
0.443
MAR-TRE-799db12b-81
0.443
MAR-TRE-66ac689e-4
0.443
MAR-TRE-8190bb11-3
0.440
MAR-TRE-92684b97-13
0.432
MAR-TRE-a9136c7b-88
0.432
MAR-TRE-66ac689e-65
0.425
MAR-TRE-8190bb11-29
0.425
MAR-TRE-4f781e27-15
0.421
MAR-TRE-a9136c7b-99
0.420
MAR-TRE-9d18ae8c-63
0.419
MAR-TRE-a9136c7b-56
0.419
MAR-TRE-a9136c7b-1
0.417
MAR-TRE-9d18ae8c-77
0.415
MAR-TRE-a9136c7b-3
0.413
MAR-TRE-92684b97-65
0.410
MAR-TRE-9d18ae8c-82
0.410
MAR-TRE-a9136c7b-15
0.408
MAR-TRE-799db12b-1
0.407
MAR-TRE-be9ff7d2-58
0.405
MAR-TRE-a9136c7b-40
0.405
MAR-TRE-4f781e27-90
0.403
MAR-TRE-c317dd82-1
0.403
MAR-TRE-be9ff7d2-45
0.403
MAR-TRE-799db12b-22
0.400
MAR-TRE-4f781e27-17
0.400
MAR-TRE-8190bb11-78
0.395
MAR-TRE-c317dd82-28
0.395
MAR-TRE-66ac689e-17
0.392
MAR-TRE-4f781e27-72
0.392
MAR-TRE-4f781e27-95
0.392
MAR-TRE-799db12b-6
0.388
MAR-TRE-92684b97-40
0.387
MAR-TRE-8190bb11-57
0.387
MAR-TRE-8190bb11-12
0.385
MAR-TRE-8190bb11-77
0.385
MAR-TRE-4f781e27-66
0.383
MAR-TRE-e82e6c98-89
0.382
MAR-TRE-a9136c7b-92
0.382
MAR-TRE-8190bb11-53
0.382
MAR-TRE-92684b97-48
0.382
MAR-TRE-9d18ae8c-5
0.381
MAR-TRE-c317dd82-36
0.380
MAR-TRE-4f781e27-63
0.380
MAR-TRE-c317dd82-43
0.378
MAR-TRE-92684b97-21
0.378
MAR-TRE-4f781e27-3
0.378
MAR-TRE-8190bb11-19
0.373
MAR-TRE-8190bb11-21
0.373
MAR-TRE-a9136c7b-75
0.373
MAR-TRE-8190bb11-44
0.373
MAR-TRE-c317dd82-100
0.372
MAR-TRE-66ac689e-39
0.372
MAR-TRE-8190bb11-15
0.372
MAR-TRE-8190bb11-84
0.372
MAR-TRE-92684b97-34
0.372
MAR-TRE-92684b97-24
0.372
MAR-TRE-9d18ae8c-25
0.372
MAR-TRE-799db12b-10
0.372
MAR-TRE-92684b97-69
0.372
MAR-TRE-a9136c7b-90
0.370
MAR-TRE-9d18ae8c-56
0.370
MAR-TRE-9d18ae8c-75
0.370
MAR-TRE-a9136c7b-20
0.368
MAR-TRE-4f781e27-50
0.368
MAR-TRE-8190bb11-45
0.367
MAR-TRE-e82e6c98-45
0.364
MAR-TRE-a9136c7b-43
0.364
MAR-TRE-4f781e27-42
0.364
MAR-TRE-66ac689e-63
0.362