Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1cccc(C2CCNCC2)c1)c1cncnc1 |
MW: | 346.11 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 101.05 |
cLogP: | 1.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-92684b97-9
0.542
MAR-TRE-a9136c7b-99
0.512
MAR-TRE-4f781e27-52
0.494
MAR-TRE-9d18ae8c-47
0.494
MAR-TRE-8190bb11-87
0.481
MAR-TRE-66ac689e-32
0.480
MAR-TRE-4f781e27-87
0.467
MAR-TRE-8190bb11-32
0.467
MAR-TRE-9d18ae8c-82
0.464
MAR-TRE-66ac689e-65
0.463
MAR-TRE-8190bb11-1
0.461
MAR-TRE-be9ff7d2-23
0.461
MAR-TRE-799db12b-1
0.460
MAR-TRE-8190bb11-37
0.455
MAR-TRE-66ac689e-13
0.455
MAR-TRE-92684b97-60
0.453
MAR-TRE-9d18ae8c-77
0.452
MAR-TRE-c317dd82-98
0.452
MAR-TRE-4f781e27-62
0.447
MAR-TRE-92684b97-59
0.447
MAR-TRE-92684b97-30
0.446
MAR-TRE-a9136c7b-61
0.444
MAR-TRE-9d18ae8c-100
0.443
MAR-TRE-8190bb11-60
0.442
MAR-TRE-66ac689e-6
0.438
MAR-TRE-799db12b-53
0.438
MAR-TRE-799db12b-5
0.438
MAR-TRE-92684b97-94
0.434
MAR-TRE-e82e6c98-63
0.432
MAR-TRE-66ac689e-16
0.430
MAR-TRE-4f781e27-46
0.421
MAR-TRE-4f781e27-41
0.421
MAR-TRE-a9136c7b-39
0.416
MAR-TRE-92684b97-23
0.412
MAR-TRE-4f781e27-97
0.412
MAR-TRE-799db12b-81
0.412
MAR-TRE-66ac689e-4
0.412
MAR-TRE-8190bb11-29
0.410
MAR-TRE-4f781e27-10
0.409
MAR-TRE-4f781e27-90
0.407
MAR-TRE-8190bb11-3
0.407
MAR-TRE-4f781e27-63
0.402
MAR-TRE-a9136c7b-88
0.402
MAR-TRE-8190bb11-94
0.400
MAR-TRE-a9136c7b-79
0.398
MAR-TRE-92684b97-65
0.398
MAR-TRE-66ac689e-44
0.398
MAR-TRE-92684b97-34
0.395
MAR-TRE-8190bb11-15
0.395
MAR-TRE-92684b97-33
0.391
MAR-TRE-c317dd82-1
0.390
MAR-TRE-8190bb11-77
0.390
MAR-TRE-799db12b-22
0.388
MAR-TRE-a9136c7b-56
0.388
MAR-TRE-a9136c7b-92
0.388
MAR-TRE-9d18ae8c-63
0.388
MAR-TRE-4f781e27-17
0.388
MAR-TRE-4f781e27-89
0.384
MAR-TRE-a9136c7b-3
0.383
MAR-TRE-799db12b-10
0.378
MAR-TRE-a9136c7b-15
0.378
MAR-TRE-9d18ae8c-70
0.376
MAR-TRE-a9136c7b-1
0.374
MAR-TRE-be9ff7d2-45
0.373
MAR-TRE-4f781e27-15
0.373
MAR-TRE-4f781e27-54
0.373
MAR-TRE-4f781e27-66
0.372
MAR-TRE-92684b97-42
0.372
MAR-TRE-a9136c7b-43
0.370
MAR-TRE-66ac689e-63
0.369
MAR-TRE-92684b97-21
0.367
MAR-TRE-8190bb11-78
0.366
MAR-TRE-92684b97-13
0.366
MAR-TRE-c317dd82-28
0.366
MAR-TRE-799db12b-77
0.365
MAR-TRE-799db12b-88
0.365
MAR-TRE-8190bb11-21
0.364
MAR-TRE-799db12b-6
0.363
MAR-TRE-4f781e27-95
0.362
MAR-TRE-8190bb11-84
0.361
MAR-TRE-92684b97-69
0.361
MAR-TRE-4f781e27-30
0.360
MAR-TRE-a9136c7b-20
0.358
MAR-TRE-8190bb11-57
0.358
MAR-TRE-92684b97-40
0.358
MAR-TRE-be9ff7d2-58
0.358
MAR-TRE-be9ff7d2-27
0.356
MAR-TRE-9d18ae8c-5
0.356
MAR-TRE-799db12b-42
0.356
MAR-TRE-8190bb11-53
0.354
MAR-TRE-92684b97-48
0.354
MAR-TRE-e82e6c98-45
0.354
MAR-TRE-92684b97-58
0.353
MAR-TRE-9d18ae8c-2
0.353
MAR-TRE-e82e6c98-58
0.353
MAR-TRE-66ac689e-27
0.353
MAR-TRE-c317dd82-36
0.353
MAR-TRE-4f781e27-3
0.352
MAR-TRE-be9ff7d2-88
0.350
MAR-TRE-4f781e27-64
0.349