Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1cccc2cccnc12)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-799db12b-30
0.634
MAR-TRE-92684b97-90
0.521
MAR-TRE-66ac689e-44
0.521
MAR-TRE-4f781e27-61
0.513
MAR-TRE-799db12b-42
0.500
MAR-TRE-a9136c7b-84
0.500
MAR-TRE-92684b97-21
0.493
MAR-TRE-799db12b-88
0.461
MAR-TRE-8190bb11-15
0.459
MAR-TRE-a9136c7b-43
0.452
MAR-TRE-92684b97-42
0.449
MAR-TRE-4f781e27-63
0.447
MAR-TRE-9d18ae8c-25
0.440
MAR-TRE-66ac689e-50
0.429
MAR-TRE-be9ff7d2-13
0.427
MAR-TRE-4f781e27-72
0.425
MAR-TRE-a9136c7b-60
0.423
MAR-TRE-92684b97-34
0.421
MAR-TRE-92684b97-24
0.421
MAR-TRE-8190bb11-19
0.420
MAR-TRE-92684b97-40
0.419
MAR-TRE-a9136c7b-20
0.419
MAR-TRE-8190bb11-57
0.419
MAR-TRE-a9136c7b-90
0.418
MAR-TRE-9d18ae8c-70
0.418
MAR-TRE-4f781e27-30
0.418
MAR-TRE-4f781e27-54
0.416
MAR-TRE-92684b97-48
0.413
MAR-TRE-8190bb11-53
0.413
MAR-TRE-4f781e27-17
0.413
MAR-TRE-be9ff7d2-23
0.413
MAR-TRE-66ac689e-63
0.410
MAR-TRE-8190bb11-78
0.408
MAR-TRE-92684b97-13
0.408
MAR-TRE-a9136c7b-87
0.405
MAR-TRE-92684b97-65
0.405
MAR-TRE-799db12b-10
0.403
MAR-TRE-8190bb11-84
0.403
MAR-TRE-92684b97-69
0.403
MAR-TRE-66ac689e-39
0.403
MAR-TRE-a9136c7b-40
0.400
MAR-TRE-be9ff7d2-58
0.400
MAR-TRE-8190bb11-45
0.397
MAR-TRE-8190bb11-77
0.397
MAR-TRE-8190bb11-38
0.395
MAR-TRE-4f781e27-66
0.395
MAR-TRE-92684b97-9
0.395
MAR-TRE-a9136c7b-92
0.395
MAR-TRE-e82e6c98-58
0.392
MAR-TRE-9d18ae8c-47
0.392
MAR-TRE-4f781e27-3
0.390
MAR-TRE-4f781e27-89
0.390
MAR-TRE-c317dd82-28
0.390
MAR-TRE-8190bb11-44
0.387
MAR-TRE-4f781e27-95
0.387
MAR-TRE-be9ff7d2-4
0.386
MAR-TRE-c317dd82-100
0.385
MAR-TRE-66ac689e-16
0.385
MAR-TRE-a9136c7b-41
0.383
MAR-TRE-4f781e27-62
0.382
MAR-TRE-8190bb11-12
0.380
MAR-TRE-e82e6c98-90
0.378
MAR-TRE-4f781e27-42
0.377
MAR-TRE-a9136c7b-56
0.377
MAR-TRE-a9136c7b-68
0.373
MAR-TRE-8190bb11-37
0.372
MAR-TRE-66ac689e-13
0.372
MAR-TRE-799db12b-77
0.370
MAR-TRE-66ac689e-11
0.369
MAR-TRE-66ac689e-65
0.369
MAR-TRE-799db12b-83
0.369
MAR-TRE-92684b97-60
0.368
MAR-TRE-a9136c7b-39
0.368
MAR-TRE-66ac689e-78
0.366
MAR-TRE-8190bb11-87
0.366
MAR-TRE-9d18ae8c-56
0.366
MAR-TRE-9d18ae8c-75
0.366
MAR-TRE-e82e6c98-63
0.365
MAR-TRE-4f781e27-52
0.365
MAR-TRE-8190bb11-32
0.364
MAR-TRE-4f781e27-87
0.364
MAR-TRE-92684b97-59
0.364
MAR-TRE-9d18ae8c-100
0.362
MAR-TRE-799db12b-38
0.362
MAR-TRE-be9ff7d2-27
0.361
MAR-TRE-8190bb11-1
0.359
MAR-TRE-e82e6c98-89
0.359
MAR-TRE-66ac689e-32
0.359
MAR-TRE-8190bb11-60
0.359
GAB-REV-70cc3ca5-8
0.356
MAR-TRE-4f781e27-46
0.355
MAR-TRE-c317dd82-43
0.355
MAR-TRE-4f781e27-55
0.354
MAR-TRE-66ac689e-17
0.354
MAR-TRE-799db12b-81
0.353
MAR-TRE-9d18ae8c-44
0.353
MAR-TRE-a9136c7b-25
0.353
MAR-TRE-9d18ae8c-45
0.352
MAR-TRE-be9ff7d2-31
0.351
MAR-TRE-be9ff7d2-63
0.351