Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1cccc(NC(=O)c2ccccc2Cl)c1)c1cncnc1 |
MW: | 416.03 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 118.12 |
cLogP: | 2.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
Hetero_hetero
MAR-TRE-9d18ae8c-77
0.689
MAR-TRE-66ac689e-65
0.640
MAR-TRE-8190bb11-32
0.507
MAR-TRE-92684b97-9
0.500
MAR-TRE-66ac689e-76
0.494
MAR-TRE-799db12b-37
0.488
MAR-TRE-66ac689e-25
0.488
MAR-TRE-66ac689e-10
0.482
MAR-TRE-799db12b-86
0.482
MAR-TRE-8190bb11-60
0.481
MAR-TRE-799db12b-25
0.476
MAR-TRE-9d18ae8c-47
0.475
MAR-TRE-66ac689e-16
0.468
MAR-TRE-4f781e27-87
0.468
MAR-TRE-9d18ae8c-44
0.464
MAR-TRE-8190bb11-87
0.463
MAR-TRE-8190bb11-3
0.444
MAR-TRE-66ac689e-32
0.443
MAR-TRE-8190bb11-37
0.438
MAR-TRE-a9136c7b-3
0.438
MAR-TRE-92684b97-60
0.436
MAR-TRE-a9136c7b-15
0.432
MAR-TRE-4f781e27-62
0.430
MAR-TRE-92684b97-59
0.430
MAR-TRE-799db12b-34
0.430
MAR-TRE-799db12b-1
0.429
MAR-TRE-be9ff7d2-23
0.425
MAR-TRE-8190bb11-1
0.425
MAR-TRE-799db12b-5
0.422
MAR-TRE-9d18ae8c-5
0.420
MAR-TRE-66ac689e-13
0.420
MAR-TRE-e82e6c98-63
0.416
MAR-TRE-8190bb11-84
0.415
MAR-TRE-a9136c7b-61
0.412
MAR-TRE-4f781e27-15
0.410
MAR-TRE-9d18ae8c-100
0.410
MAR-TRE-4f781e27-52
0.409
MAR-TRE-9d18ae8c-63
0.407
MAR-TRE-4f781e27-46
0.405
MAR-TRE-799db12b-53
0.405
MAR-TRE-66ac689e-6
0.405
MAR-TRE-92684b97-65
0.400
MAR-TRE-799db12b-81
0.398
MAR-TRE-4f781e27-97
0.398
MAR-TRE-a9136c7b-40
0.395
MAR-TRE-8190bb11-29
0.395
MAR-TRE-a9136c7b-99
0.393
MAR-TRE-a9136c7b-56
0.390
MAR-TRE-8190bb11-53
0.390
MAR-TRE-e82e6c98-45
0.390
MAR-TRE-a9136c7b-88
0.389
MAR-TRE-799db12b-42
0.389
MAR-TRE-66ac689e-63
0.388
MAR-TRE-66ac689e-50
0.388
MAR-TRE-92684b97-21
0.388
MAR-TRE-92684b97-94
0.386
MAR-TRE-8190bb11-94
0.386
MAR-TRE-a9136c7b-39
0.383
MAR-TRE-a9136c7b-75
0.383
MAR-TRE-66ac689e-4
0.382
MAR-TRE-92684b97-30
0.382
MAR-TRE-8190bb11-21
0.382
MAR-TRE-92684b97-23
0.382
MAR-TRE-c317dd82-100
0.381
MAR-TRE-92684b97-24
0.381
MAR-TRE-9d18ae8c-25
0.381
MAR-TRE-92684b97-34
0.381
MAR-TRE-4f781e27-10
0.380
MAR-TRE-799db12b-6
0.380
MAR-TRE-9d18ae8c-70
0.379
MAR-TRE-c317dd82-1
0.376
MAR-TRE-e82e6c98-58
0.372
MAR-TRE-a9136c7b-68
0.371
MAR-TRE-a9136c7b-79
0.370
MAR-TRE-4f781e27-95
0.366
MAR-TRE-799db12b-10
0.365
MAR-TRE-8190bb11-15
0.365
MAR-TRE-8190bb11-91
0.362
MAR-TRE-799db12b-95
0.362
MAR-TRE-a9136c7b-1
0.362
MAR-TRE-be9ff7d2-45
0.360
MAR-TRE-799db12b-22
0.360
MAR-TRE-4f781e27-17
0.357
MAR-TRE-a9136c7b-92
0.357
MAR-TRE-e82e6c98-89
0.357
MAR-TRE-92684b97-48
0.357
MAR-TRE-66ac689e-27
0.356
MAR-TRE-4f781e27-63
0.356
MAR-TRE-8190bb11-4
0.356
MAR-TRE-8190bb11-78
0.353
MAR-TRE-92684b97-13
0.353
MAR-TRE-a9136c7b-87
0.352
MAR-TRE-799db12b-77
0.352
MAR-TRE-66ac689e-44
0.352
MAR-TRE-a9136c7b-25
0.352
MAR-TRE-799db12b-83
0.352
MAR-TRE-799db12b-56
0.352
MAR-TRE-92684b97-69
0.349
MAR-TRE-66ac689e-39
0.349
MAR-TRE-a9136c7b-90
0.348