Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1cnc2ccccc2c1)c1cncnc1 |
MW: | 314.05 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 101.91 |
cLogP: | 1.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-66ac689e-39
0.535
MAR-TRE-92684b97-24
0.493
MAR-TRE-a9136c7b-56
0.486
MAR-TRE-92684b97-9
0.466
MAR-TRE-a9136c7b-39
0.458
MAR-TRE-8190bb11-1
0.446
MAR-TRE-be9ff7d2-23
0.446
MAR-TRE-4f781e27-46
0.444
MAR-TRE-92684b97-98
0.444
MAR-TRE-9d18ae8c-47
0.442
MAR-TRE-92684b97-60
0.438
MAR-TRE-e82e6c98-63
0.437
MAR-TRE-4f781e27-87
0.432
MAR-TRE-8190bb11-32
0.432
MAR-TRE-92684b97-59
0.432
MAR-TRE-4f781e27-62
0.432
MAR-TRE-799db12b-81
0.432
MAR-TRE-8190bb11-21
0.432
MAR-TRE-8190bb11-87
0.430
MAR-TRE-4f781e27-90
0.429
MAR-TRE-66ac689e-32
0.427
MAR-TRE-8190bb11-60
0.427
MAR-TRE-9d18ae8c-63
0.427
MAR-TRE-92684b97-21
0.425
MAR-TRE-799db12b-5
0.423
MAR-TRE-c317dd82-36
0.423
MAR-TRE-a9136c7b-3
0.421
MAR-TRE-66ac689e-13
0.421
MAR-TRE-8190bb11-37
0.421
MAR-TRE-8190bb11-94
0.420
MAR-TRE-92684b97-90
0.418
MAR-TRE-66ac689e-16
0.416
MAR-TRE-66ac689e-4
0.415
MAR-TRE-8190bb11-29
0.413
MAR-TRE-8190bb11-63
0.412
MAR-TRE-9d18ae8c-100
0.410
MAR-TRE-8190bb11-3
0.410
MAR-TRE-66ac689e-6
0.405
MAR-TRE-92684b97-58
0.405
MAR-TRE-799db12b-53
0.405
MAR-TRE-c317dd82-28
0.403
MAR-TRE-a9136c7b-68
0.402
MAR-TRE-9d18ae8c-82
0.400
MAR-TRE-a9136c7b-79
0.400
MAR-TRE-a9136c7b-87
0.400
MAR-TRE-4f781e27-95
0.400
MAR-TRE-9d18ae8c-44
0.398
MAR-TRE-66ac689e-65
0.398
MAR-TRE-a9136c7b-15
0.397
MAR-TRE-a9136c7b-84
0.397
MAR-TRE-a9136c7b-61
0.395
MAR-TRE-be9ff7d2-58
0.395
MAR-TRE-799db12b-30
0.393
MAR-TRE-c317dd82-1
0.392
MAR-TRE-4f781e27-15
0.392
MAR-TRE-be9ff7d2-45
0.392
MAR-TRE-4f781e27-54
0.392
MAR-TRE-a9136c7b-43
0.390
MAR-TRE-92684b97-48
0.390
MAR-TRE-9d18ae8c-5
0.388
MAR-TRE-9d18ae8c-77
0.388
MAR-TRE-4f781e27-63
0.388
MAR-TRE-92684b97-94
0.386
MAR-TRE-92684b97-13
0.385
MAR-TRE-66ac689e-44
0.383
MAR-TRE-4f781e27-72
0.382
MAR-TRE-8190bb11-44
0.382
MAR-TRE-4f781e27-97
0.381
MAR-TRE-92684b97-23
0.381
MAR-TRE-92684b97-30
0.381
MAR-TRE-8190bb11-15
0.380
MAR-TRE-92684b97-69
0.380
MAR-TRE-9d18ae8c-25
0.380
MAR-TRE-799db12b-10
0.380
MAR-TRE-8190bb11-84
0.380
MAR-TRE-4f781e27-10
0.379
MAR-TRE-a9136c7b-41
0.378
MAR-TRE-8190bb11-57
0.377
MAR-TRE-92684b97-40
0.377
MAR-TRE-a9136c7b-99
0.376
MAR-TRE-4f781e27-52
0.376
MAR-TRE-e82e6c98-98
0.373
MAR-TRE-799db12b-22
0.373
MAR-TRE-a9136c7b-88
0.372
MAR-TRE-4f781e27-42
0.372
MAR-TRE-8190bb11-53
0.372
MAR-TRE-4f781e27-17
0.372
MAR-TRE-66ac689e-50
0.370
MAR-TRE-8190bb11-78
0.367
MAR-TRE-799db12b-1
0.367
MAR-TRE-799db12b-88
0.366
MAR-TRE-4f781e27-61
0.365
MAR-TRE-a9136c7b-25
0.365
MAR-TRE-799db12b-6
0.364
MAR-TRE-be9ff7d2-31
0.364
MAR-TRE-a9136c7b-75
0.364
MAR-TRE-92684b97-34
0.362
MAR-TRE-c317dd82-100
0.362
MAR-TRE-9d18ae8c-70
0.361
MAR-TRE-a9136c7b-1
0.360