Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1cccc2c1CCCN2)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: | ✗ |
Dye 22
Hetero_hetero
MAR-TRE-4f781e27-63
0.527
MAR-TRE-92684b97-30
0.475
MAR-TRE-92684b97-21
0.452
MAR-TRE-4f781e27-66
0.450
MAR-TRE-92684b97-58
0.449
MAR-TRE-799db12b-88
0.443
MAR-TRE-92684b97-90
0.443
MAR-TRE-66ac689e-44
0.443
MAR-TRE-8190bb11-15
0.442
MAR-TRE-799db12b-42
0.429
MAR-TRE-92684b97-13
0.429
MAR-TRE-9d18ae8c-25
0.423
MAR-TRE-92684b97-69
0.423
MAR-TRE-8190bb11-19
0.422
MAR-TRE-92684b97-40
0.421
MAR-TRE-9d18ae8c-75
0.420
MAR-TRE-9d18ae8c-56
0.420
MAR-TRE-9d18ae8c-70
0.420
MAR-TRE-4f781e27-30
0.420
MAR-TRE-4f781e27-54
0.418
MAR-TRE-a9136c7b-43
0.416
MAR-TRE-66ac689e-50
0.412
MAR-TRE-be9ff7d2-13
0.410
MAR-TRE-8190bb11-78
0.410
MAR-TRE-a9136c7b-84
0.405
MAR-TRE-8190bb11-84
0.405
MAR-TRE-92684b97-34
0.405
MAR-TRE-8190bb11-57
0.403
MAR-TRE-a9136c7b-20
0.403
MAR-TRE-66ac689e-78
0.402
MAR-TRE-9d18ae8c-45
0.402
MAR-TRE-799db12b-30
0.400
MAR-TRE-8190bb11-66
0.400
MAR-TRE-8190bb11-38
0.398
MAR-TRE-8190bb11-53
0.397
MAR-TRE-92684b97-48
0.397
MAR-TRE-a9136c7b-92
0.397
MAR-TRE-92684b97-9
0.397
MAR-TRE-4f781e27-17
0.397
MAR-TRE-66ac689e-63
0.395
MAR-TRE-e82e6c98-58
0.395
MAR-TRE-4f781e27-89
0.393
MAR-TRE-c317dd82-79
0.391
MAR-TRE-4f781e27-72
0.390
MAR-TRE-799db12b-83
0.388
MAR-TRE-4f781e27-61
0.388
MAR-TRE-799db12b-10
0.388
MAR-TRE-c317dd82-100
0.388
MAR-TRE-a9136c7b-40
0.385
MAR-TRE-4f781e27-52
0.384
MAR-TRE-8190bb11-77
0.383
MAR-TRE-e82e6c98-90
0.381
MAR-TRE-be9ff7d2-27
0.381
MAR-TRE-9d18ae8c-47
0.378
MAR-TRE-4f781e27-3
0.376
MAR-TRE-92684b97-94
0.376
MAR-TRE-c317dd82-28
0.375
MAR-TRE-be9ff7d2-4
0.372
MAR-TRE-9d18ae8c-44
0.372
MAR-TRE-92684b97-60
0.372
MAR-TRE-66ac689e-39
0.370
MAR-TRE-66ac689e-16
0.370
MAR-TRE-a9136c7b-90
0.369
MAR-TRE-92684b97-33
0.368
MAR-TRE-4f781e27-50
0.367
MAR-TRE-be9ff7d2-58
0.367
MAR-TRE-92684b97-59
0.367
MAR-TRE-8190bb11-12
0.366
MAR-TRE-8190bb11-45
0.366
MAR-TRE-9d18ae8c-5
0.364
MAR-TRE-66ac689e-32
0.362
MAR-TRE-be9ff7d2-23
0.362
MAR-TRE-c317dd82-43
0.359
MAR-TRE-66ac689e-13
0.358
MAR-TRE-8190bb11-37
0.358
MAR-TRE-a9136c7b-60
0.357
MAR-TRE-66ac689e-17
0.357
MAR-TRE-799db12b-77
0.357
MAR-TRE-92684b97-23
0.356
MAR-TRE-a9136c7b-39
0.354
MAR-TRE-8190bb11-44
0.354
MAR-TRE-be9ff7d2-63
0.354
MAR-TRE-a9136c7b-75
0.354
MAR-TRE-4f781e27-95
0.354
MAR-TRE-92684b97-24
0.354
MAR-TRE-a9136c7b-41
0.353
MAR-TRE-8190bb11-87
0.353
MAR-TRE-e82e6c98-63
0.351
MAR-TRE-4f781e27-62
0.350
MAR-TRE-8190bb11-32
0.350
MAR-TRE-4f781e27-87
0.350
MAR-TRE-4f781e27-90
0.349
MAR-TRE-9d18ae8c-100
0.349
MAR-TRE-c317dd82-1
0.349
MAR-TRE-8190bb11-1
0.346
MAR-TRE-4f781e27-42
0.346
MAR-TRE-9d18ae8c-63
0.346
MAR-TRE-e82e6c98-45
0.346
MAR-TRE-8190bb11-60
0.346
MAR-TRE-e82e6c98-89
0.346