Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1ccc2c(c1)CCCN2)c1cncnc1 |
MW: | 318.08 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 101.05 |
cLogP: | 0.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-92684b97-94
0.608
MAR-TRE-92684b97-23
0.538
MAR-TRE-9d18ae8c-100
0.520
MAR-TRE-66ac689e-32
0.500
MAR-TRE-8190bb11-1
0.500
MAR-TRE-4f781e27-52
0.494
MAR-TRE-8190bb11-37
0.493
MAR-TRE-92684b97-60
0.493
MAR-TRE-4f781e27-87
0.486
MAR-TRE-8190bb11-32
0.486
MAR-TRE-4f781e27-97
0.481
MAR-TRE-92684b97-42
0.475
MAR-TRE-799db12b-5
0.474
MAR-TRE-66ac689e-13
0.474
MAR-TRE-4f781e27-62
0.467
MAR-TRE-92684b97-59
0.467
MAR-TRE-a9136c7b-61
0.463
MAR-TRE-8190bb11-60
0.461
MAR-TRE-be9ff7d2-23
0.461
MAR-TRE-92684b97-9
0.461
MAR-TRE-4f781e27-10
0.459
MAR-TRE-4f781e27-66
0.457
MAR-TRE-799db12b-53
0.456
MAR-TRE-66ac689e-6
0.456
MAR-TRE-e82e6c98-63
0.452
MAR-TRE-66ac689e-16
0.449
MAR-TRE-799db12b-81
0.446
MAR-TRE-9d18ae8c-44
0.446
MAR-TRE-9d18ae8c-47
0.438
MAR-TRE-8190bb11-94
0.434
MAR-TRE-a9136c7b-15
0.430
MAR-TRE-8190bb11-87
0.427
MAR-TRE-8190bb11-3
0.425
MAR-TRE-a9136c7b-99
0.424
MAR-TRE-9d18ae8c-63
0.423
MAR-TRE-4f781e27-46
0.421
MAR-TRE-a9136c7b-88
0.419
MAR-TRE-a9136c7b-39
0.416
MAR-TRE-a9136c7b-79
0.414
MAR-TRE-66ac689e-4
0.412
MAR-TRE-8190bb11-29
0.410
MAR-TRE-9d18ae8c-45
0.409
MAR-TRE-4f781e27-15
0.407
MAR-TRE-a9136c7b-56
0.405
MAR-TRE-a9136c7b-1
0.404
MAR-TRE-a9136c7b-3
0.400
MAR-TRE-66ac689e-65
0.395
MAR-TRE-9d18ae8c-75
0.393
MAR-TRE-9d18ae8c-56
0.393
MAR-TRE-8190bb11-66
0.391
MAR-TRE-4f781e27-90
0.390
MAR-TRE-799db12b-22
0.388
MAR-TRE-9d18ae8c-77
0.386
MAR-TRE-9d18ae8c-5
0.386
MAR-TRE-4f781e27-63
0.386
MAR-TRE-c317dd82-43
0.385
MAR-TRE-92684b97-13
0.383
MAR-TRE-c317dd82-28
0.383
MAR-TRE-9d18ae8c-82
0.382
MAR-TRE-92684b97-65
0.381
MAR-TRE-799db12b-1
0.380
MAR-TRE-a9136c7b-75
0.380
MAR-TRE-799db12b-6
0.378
MAR-TRE-be9ff7d2-58
0.375
MAR-TRE-8190bb11-57
0.375
MAR-TRE-4f781e27-50
0.375
MAR-TRE-8190bb11-12
0.373
MAR-TRE-8190bb11-45
0.373
MAR-TRE-c317dd82-1
0.373
MAR-TRE-be9ff7d2-45
0.373
MAR-TRE-a9136c7b-43
0.370
MAR-TRE-4f781e27-17
0.370
MAR-TRE-92684b97-48
0.370
MAR-TRE-4f781e27-3
0.368
MAR-TRE-8190bb11-78
0.366
MAR-TRE-4f781e27-95
0.362
MAR-TRE-8190bb11-15
0.361
MAR-TRE-8190bb11-84
0.361
MAR-TRE-92684b97-34
0.361
MAR-TRE-92684b97-69
0.361
MAR-TRE-c317dd82-100
0.361
MAR-TRE-66ac689e-78
0.360
MAR-TRE-92684b97-40
0.358
MAR-TRE-a9136c7b-40
0.358
MAR-TRE-a9136c7b-20
0.358
MAR-TRE-8190bb11-77
0.357
MAR-TRE-4f781e27-42
0.354
MAR-TRE-e82e6c98-45
0.354
MAR-TRE-a9136c7b-92
0.354
MAR-TRE-8190bb11-53
0.354
MAR-TRE-c317dd82-36
0.353
MAR-TRE-92684b97-21
0.350
MAR-TRE-be9ff7d2-13
0.349
MAR-TRE-799db12b-77
0.349
MAR-TRE-799db12b-88
0.349
MAR-TRE-8190bb11-21
0.348
MAR-TRE-799db12b-83
0.348
MAR-TRE-be9ff7d2-4
0.348
MAR-TRE-8190bb11-44
0.346
MAR-TRE-4f781e27-72
0.346