Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1cnn(Cc2ccccc2)c1)c1cncnc1 |
MW: | 343.07 |
Fraction sp3: | 0.07 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 106.84 |
cLogP: | 0.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-c317dd82-36
0.597
MAR-TRE-66ac689e-43
0.487
MAR-TRE-4f781e27-90
0.462
MAR-TRE-9d18ae8c-47
0.456
MAR-TRE-799db12b-67
0.441
MAR-TRE-92684b97-65
0.432
MAR-TRE-8190bb11-32
0.429
MAR-TRE-799db12b-6
0.425
MAR-TRE-be9ff7d2-45
0.425
MAR-TRE-be9ff7d2-23
0.423
MAR-TRE-92684b97-70
0.421
MAR-TRE-66ac689e-83
0.420
MAR-TRE-a9136c7b-3
0.418
MAR-TRE-a9136c7b-68
0.417
MAR-TRE-e82e6c98-63
0.413
MAR-TRE-a9136c7b-15
0.412
MAR-TRE-4f781e27-62
0.410
MAR-TRE-4f781e27-87
0.410
MAR-TRE-c317dd82-1
0.407
MAR-TRE-8190bb11-3
0.407
MAR-TRE-8190bb11-60
0.405
MAR-TRE-92684b97-9
0.405
MAR-TRE-9d18ae8c-63
0.405
MAR-TRE-66ac689e-32
0.405
MAR-TRE-66ac689e-34
0.405
MAR-TRE-4f781e27-46
0.403
MAR-TRE-799db12b-5
0.402
MAR-TRE-66ac689e-13
0.400
MAR-TRE-8190bb11-37
0.400
MAR-TRE-92684b97-60
0.397
MAR-TRE-799db12b-81
0.395
MAR-TRE-66ac689e-65
0.395
MAR-TRE-a9136c7b-25
0.395
MAR-TRE-66ac689e-16
0.395
MAR-TRE-9d18ae8c-25
0.395
MAR-TRE-66ac689e-39
0.395
MAR-TRE-a9136c7b-61
0.393
MAR-TRE-8190bb11-63
0.393
MAR-TRE-a9136c7b-41
0.393
MAR-TRE-8190bb11-87
0.393
MAR-TRE-92684b97-59
0.392
MAR-TRE-8190bb11-29
0.392
MAR-TRE-66ac689e-7
0.388
MAR-TRE-a9136c7b-56
0.388
MAR-TRE-8190bb11-1
0.388
MAR-TRE-8190bb11-53
0.388
MAR-TRE-9d18ae8c-5
0.386
MAR-TRE-66ac689e-6
0.386
MAR-TRE-66ac689e-50
0.386
MAR-TRE-92684b97-21
0.385
MAR-TRE-a9136c7b-79
0.382
MAR-TRE-9d18ae8c-82
0.382
MAR-TRE-a9136c7b-87
0.381
MAR-TRE-a9136c7b-39
0.380
MAR-TRE-a9136c7b-84
0.378
MAR-TRE-c317dd82-100
0.378
MAR-TRE-92684b97-24
0.378
MAR-TRE-8190bb11-57
0.375
MAR-TRE-a9136c7b-40
0.375
MAR-TRE-92684b97-51
0.375
MAR-TRE-a9136c7b-1
0.374
MAR-TRE-4f781e27-15
0.373
MAR-TRE-9d18ae8c-100
0.373
MAR-TRE-9d18ae8c-77
0.371
MAR-TRE-a9136c7b-43
0.370
MAR-TRE-4f781e27-42
0.370
MAR-TRE-799db12b-53
0.369
MAR-TRE-be9ff7d2-13
0.366
MAR-TRE-8190bb11-55
0.366
MAR-TRE-799db12b-1
0.366
MAR-TRE-92684b97-90
0.365
MAR-TRE-9d18ae8c-44
0.364
MAR-TRE-4f781e27-97
0.364
MAR-TRE-be9ff7d2-31
0.362
MAR-TRE-a9136c7b-75
0.362
MAR-TRE-92684b97-34
0.361
MAR-TRE-8190bb11-15
0.361
MAR-TRE-a9136c7b-99
0.360
MAR-TRE-a9136c7b-20
0.358
MAR-TRE-92684b97-40
0.358
MAR-TRE-9d18ae8c-73
0.358
MAR-TRE-be9ff7d2-58
0.358
MAR-TRE-8190bb11-81
0.357
MAR-TRE-799db12b-38
0.357
MAR-TRE-4f781e27-54
0.357
MAR-TRE-8190bb11-82
0.357
MAR-TRE-799db12b-22
0.356
MAR-TRE-e82e6c98-98
0.356
MAR-TRE-4f781e27-17
0.354
MAR-TRE-e82e6c98-45
0.354
MAR-TRE-92684b97-48
0.354
MAR-TRE-92684b97-94
0.352
MAR-TRE-8190bb11-94
0.352
MAR-TRE-c317dd82-43
0.350
MAR-TRE-8190bb11-78
0.349
MAR-TRE-92684b97-13
0.349
MAR-TRE-4f781e27-55
0.349
MAR-TRE-66ac689e-4
0.348
MAR-TRE-4f781e27-48
0.348
MAR-TRE-92684b97-30
0.348