Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1ccc(-n2cccn2)c(F)c1)c1cncnc1 |
MW: | 347.05 |
Fraction sp3: | 0.0 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 106.84 |
cLogP: | 0.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
MAR-TRE-8190bb11-1
0.521
MAR-TRE-8190bb11-37
0.514
MAR-TRE-66ac689e-13
0.514
MAR-TRE-4f781e27-97
0.500
MAR-TRE-92684b97-9
0.480
MAR-TRE-66ac689e-6
0.474
MAR-TRE-92684b97-60
0.473
MAR-TRE-92684b97-59
0.467
MAR-TRE-4f781e27-62
0.467
MAR-TRE-8190bb11-32
0.467
MAR-TRE-4f781e27-87
0.467
MAR-TRE-a9136c7b-61
0.463
MAR-TRE-be9ff7d2-23
0.461
MAR-TRE-66ac689e-32
0.461
MAR-TRE-8190bb11-60
0.461
MAR-TRE-9d18ae8c-47
0.456
MAR-TRE-92684b97-94
0.451
MAR-TRE-66ac689e-16
0.449
MAR-TRE-92684b97-30
0.446
MAR-TRE-66ac689e-65
0.446
MAR-TRE-8190bb11-87
0.444
MAR-TRE-4f781e27-15
0.443
MAR-TRE-9d18ae8c-100
0.443
MAR-TRE-799db12b-53
0.438
MAR-TRE-799db12b-5
0.438
MAR-TRE-8190bb11-94
0.434
MAR-TRE-e82e6c98-63
0.432
MAR-TRE-92684b97-65
0.432
MAR-TRE-a9136c7b-79
0.430
MAR-TRE-8190bb11-29
0.429
MAR-TRE-4f781e27-52
0.424
MAR-TRE-4f781e27-46
0.421
MAR-TRE-a9136c7b-1
0.420
MAR-TRE-9d18ae8c-77
0.419
MAR-TRE-8190bb11-15
0.412
MAR-TRE-a9136c7b-15
0.412
MAR-TRE-92684b97-23
0.412
MAR-TRE-9d18ae8c-44
0.412
MAR-TRE-66ac689e-4
0.412
MAR-TRE-8190bb11-57
0.410
MAR-TRE-c317dd82-1
0.407
MAR-TRE-8190bb11-3
0.407
MAR-TRE-a9136c7b-56
0.405
MAR-TRE-c317dd82-36
0.402
MAR-TRE-a9136c7b-88
0.402
MAR-TRE-9d18ae8c-82
0.398
MAR-TRE-a9136c7b-39
0.397
MAR-TRE-799db12b-1
0.396
MAR-TRE-8190bb11-21
0.395
MAR-TRE-4f781e27-10
0.393
MAR-TRE-a9136c7b-20
0.392
MAR-TRE-be9ff7d2-45
0.390
MAR-TRE-4f781e27-90
0.390
MAR-TRE-799db12b-22
0.388
MAR-TRE-9d18ae8c-63
0.388
MAR-TRE-c317dd82-28
0.383
MAR-TRE-92684b97-13
0.383
MAR-TRE-8190bb11-78
0.383
MAR-TRE-a9136c7b-3
0.383
MAR-TRE-799db12b-77
0.381
MAR-TRE-be9ff7d2-31
0.380
MAR-TRE-4f781e27-61
0.379
MAR-TRE-92684b97-69
0.378
MAR-TRE-799db12b-6
0.378
MAR-TRE-a9136c7b-41
0.376
MAR-TRE-8190bb11-66
0.375
MAR-TRE-a9136c7b-99
0.375
MAR-TRE-be9ff7d2-58
0.375
MAR-TRE-8190bb11-45
0.373
MAR-TRE-8190bb11-12
0.373
MAR-TRE-9d18ae8c-5
0.371
MAR-TRE-4f781e27-17
0.370
MAR-TRE-92684b97-48
0.370
MAR-TRE-a9136c7b-43
0.370
MAR-TRE-66ac689e-63
0.369
MAR-TRE-a9136c7b-68
0.368
MAR-TRE-92684b97-21
0.367
MAR-TRE-92684b97-90
0.365
MAR-TRE-a9136c7b-87
0.365
MAR-TRE-4f781e27-95
0.362
MAR-TRE-66ac689e-39
0.361
MAR-TRE-92684b97-34
0.361
MAR-TRE-a9136c7b-84
0.361
MAR-TRE-92684b97-24
0.361
MAR-TRE-8190bb11-84
0.361
MAR-TRE-9d18ae8c-70
0.360
MAR-TRE-92684b97-40
0.358
MAR-TRE-8190bb11-77
0.357
MAR-TRE-be9ff7d2-27
0.356
MAR-TRE-e82e6c98-45
0.354
MAR-TRE-8190bb11-53
0.354
MAR-TRE-a9136c7b-92
0.354
MAR-TRE-92684b97-58
0.353
MAR-TRE-c317dd82-43
0.350
MAR-TRE-be9ff7d2-13
0.349
MAR-TRE-799db12b-88
0.349
MAR-TRE-66ac689e-11
0.348
MAR-TRE-a9136c7b-25
0.348
MAR-TRE-4f781e27-72
0.346
MAR-TRE-a9136c7b-75
0.346