Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1cnn2c1CCCC2)c1cncnc1 |
MW: | 307.07 |
Fraction sp3: | 0.33 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 106.84 |
cLogP: | 0.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-be9ff7d2-27
0.597
MAR-TRE-e82e6c98-90
0.513
MAR-TRE-a9136c7b-20
0.446
MAR-TRE-9d18ae8c-56
0.443
MAR-TRE-9d18ae8c-75
0.443
MAR-TRE-92684b97-48
0.440
MAR-TRE-be9ff7d2-13
0.434
MAR-TRE-4f781e27-72
0.413
MAR-TRE-799db12b-98
0.412
MAR-TRE-92684b97-40
0.408
MAR-TRE-a9136c7b-40
0.408
MAR-TRE-8190bb11-57
0.408
MAR-TRE-9d18ae8c-70
0.407
MAR-TRE-8190bb11-53
0.403
MAR-TRE-4f781e27-17
0.403
MAR-TRE-8190bb11-38
0.402
MAR-TRE-4f781e27-66
0.402
MAR-TRE-92684b97-42
0.402
MAR-TRE-4f781e27-63
0.400
MAR-TRE-92684b97-21
0.400
MAR-TRE-4f781e27-89
0.398
MAR-TRE-4f781e27-3
0.398
MAR-TRE-be9ff7d2-31
0.395
MAR-TRE-c317dd82-100
0.392
MAR-TRE-799db12b-10
0.392
MAR-TRE-8190bb11-15
0.392
MAR-TRE-8190bb11-84
0.392
MAR-TRE-92684b97-34
0.392
MAR-TRE-e82e6c98-63
0.392
MAR-TRE-9d18ae8c-45
0.391
MAR-TRE-8190bb11-66
0.388
MAR-TRE-4f781e27-90
0.388
MAR-TRE-8190bb11-12
0.388
MAR-TRE-8190bb11-45
0.388
MAR-TRE-e82e6c98-98
0.386
MAR-TRE-a9136c7b-92
0.385
MAR-TRE-66ac689e-50
0.383
MAR-TRE-66ac689e-63
0.383
MAR-TRE-8190bb11-78
0.380
MAR-TRE-92684b97-13
0.380
MAR-TRE-92684b97-90
0.378
MAR-TRE-799db12b-88
0.378
MAR-TRE-be9ff7d2-4
0.376
MAR-TRE-92684b97-69
0.375
MAR-TRE-9d18ae8c-25
0.375
MAR-TRE-92684b97-33
0.372
MAR-TRE-4f781e27-50
0.372
MAR-TRE-8190bb11-77
0.370
MAR-TRE-4f781e27-54
0.370
MAR-TRE-799db12b-11
0.368
MAR-TRE-66ac689e-6
0.366
MAR-TRE-92684b97-58
0.366
MAR-TRE-e82e6c98-58
0.366
MAR-TRE-c317dd82-43
0.364
MAR-TRE-4f781e27-46
0.364
MAR-TRE-8190bb11-37
0.362
MAR-TRE-66ac689e-13
0.362
MAR-TRE-a9136c7b-60
0.361
MAR-TRE-799db12b-77
0.361
MAR-TRE-66ac689e-44
0.361
MAR-TRE-66ac689e-17
0.361
MAR-TRE-8190bb11-19
0.360
MAR-TRE-4f781e27-61
0.360
MAR-TRE-92684b97-23
0.360
MAR-TRE-66ac689e-11
0.360
MAR-TRE-92684b97-30
0.360
MAR-TRE-799db12b-83
0.360
MAR-TRE-be9ff7d2-63
0.359
MAR-TRE-a9136c7b-75
0.359
MAR-TRE-66ac689e-39
0.358
MAR-TRE-66ac689e-16
0.358
MAR-TRE-e82e6c98-93
0.357
MAR-TRE-4f781e27-30
0.357
MAR-TRE-a9136c7b-41
0.357
MAR-TRE-a9136c7b-90
0.357
MAR-TRE-be9ff7d2-58
0.354
MAR-TRE-4f781e27-87
0.354
MAR-TRE-8190bb11-32
0.354
MAR-TRE-8190bb11-29
0.354
MAR-TRE-8190bb11-3
0.354
MAR-TRE-799db12b-22
0.353
MAR-TRE-be9ff7d2-23
0.350
MAR-TRE-a9136c7b-56
0.350
MAR-TRE-66ac689e-32
0.350
MAR-TRE-8190bb11-1
0.350
MAR-TRE-9d18ae8c-63
0.350
MAR-TRE-e82e6c98-89
0.350
MAR-TRE-c317dd82-73
0.350
MAR-TRE-e82e6c98-45
0.350
MAR-TRE-4f781e27-42
0.350
MAR-TRE-c317dd82-36
0.349
MAR-TRE-8190bb11-94
0.349
MAR-TRE-92684b97-94
0.349
MAR-TRE-c317dd82-79
0.348
MAR-TRE-be9ff7d2-88
0.346
MAR-TRE-a9136c7b-3
0.346
MAR-TRE-8190bb11-55
0.346
MAR-TRE-799db12b-81
0.345
MAR-TRE-4f781e27-97
0.345
MAR-TRE-92684b97-60
0.342