Molecular Properties | |
SMILES: | COc1c(F)cc(Br)cc1S(=O)(=O)NC(=O)c1cncnc1 |
MW: | 388.95 |
Fraction sp3: | 0.08 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 98.25 |
cLogP: | 1.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Filter9_metal
aryl bromide
Hetero_hetero
sulfonamide_A(43)
MAR-TRE-66ac689e-11
0.634
MAR-TRE-8190bb11-78
0.565
MAR-TRE-a9136c7b-92
0.529
MAR-TRE-8190bb11-45
0.528
MAR-TRE-92684b97-34
0.514
MAR-TRE-8190bb11-77
0.507
MAR-TRE-8190bb11-57
0.493
MAR-TRE-a9136c7b-60
0.474
MAR-TRE-799db12b-10
0.473
MAR-TRE-a9136c7b-20
0.472
MAR-TRE-8190bb11-12
0.467
MAR-TRE-e82e6c98-58
0.461
MAR-TRE-66ac689e-63
0.461
MAR-TRE-66ac689e-13
0.459
MAR-TRE-4f781e27-72
0.458
MAR-TRE-4f781e27-95
0.458
MAR-TRE-4f781e27-3
0.456
MAR-TRE-92684b97-69
0.453
MAR-TRE-4f781e27-17
0.446
MAR-TRE-4f781e27-46
0.444
MAR-TRE-8190bb11-38
0.443
MAR-TRE-799db12b-5
0.442
MAR-TRE-8190bb11-37
0.440
MAR-TRE-8190bb11-15
0.434
MAR-TRE-92684b97-40
0.432
MAR-TRE-a9136c7b-90
0.430
MAR-TRE-8190bb11-1
0.427
MAR-TRE-92684b97-48
0.427
MAR-TRE-92684b97-13
0.421
MAR-TRE-c317dd82-100
0.416
MAR-TRE-9d18ae8c-25
0.416
MAR-TRE-8190bb11-84
0.416
MAR-TRE-4f781e27-61
0.415
MAR-TRE-8190bb11-29
0.413
MAR-TRE-a9136c7b-40
0.413
MAR-TRE-8190bb11-87
0.412
MAR-TRE-4f781e27-30
0.412
MAR-TRE-4f781e27-15
0.410
MAR-TRE-4f781e27-54
0.410
MAR-TRE-8190bb11-66
0.410
MAR-TRE-e82e6c98-89
0.408
MAR-TRE-92684b97-9
0.408
MAR-TRE-8190bb11-53
0.408
MAR-TRE-4f781e27-66
0.407
MAR-TRE-92684b97-21
0.405
MAR-TRE-be9ff7d2-13
0.403
MAR-TRE-92684b97-60
0.400
MAR-TRE-4f781e27-97
0.398
MAR-TRE-66ac689e-16
0.397
MAR-TRE-e82e6c98-63
0.397
MAR-TRE-9d18ae8c-75
0.395
MAR-TRE-4f781e27-50
0.395
MAR-TRE-4f781e27-62
0.395
MAR-TRE-4f781e27-87
0.395
MAR-TRE-92684b97-59
0.395
MAR-TRE-799db12b-42
0.388
MAR-TRE-799db12b-88
0.383
MAR-TRE-66ac689e-44
0.383
MAR-TRE-92684b97-90
0.383
MAR-TRE-be9ff7d2-31
0.382
MAR-TRE-8190bb11-19
0.381
MAR-TRE-c317dd82-84
0.381
MAR-TRE-799db12b-81
0.381
MAR-TRE-a9136c7b-15
0.380
MAR-TRE-9d18ae8c-45
0.379
MAR-TRE-a9136c7b-61
0.378
MAR-TRE-9d18ae8c-56
0.378
MAR-TRE-8190bb11-32
0.377
MAR-TRE-92684b97-33
0.376
MAR-TRE-c317dd82-1
0.375
MAR-TRE-8190bb11-3
0.375
MAR-TRE-9d18ae8c-77
0.372
MAR-TRE-8190bb11-60
0.372
MAR-TRE-e82e6c98-45
0.372
MAR-TRE-a9136c7b-56
0.372
MAR-TRE-9d18ae8c-63
0.372
MAR-TRE-66ac689e-32
0.372
MAR-TRE-be9ff7d2-23
0.372
MAR-TRE-92684b97-58
0.370
MAR-TRE-9d18ae8c-47
0.370
MAR-TRE-4f781e27-63
0.370
MAR-TRE-66ac689e-6
0.370
MAR-TRE-66ac689e-50
0.370
MAR-TRE-4f781e27-89
0.369
MAR-TRE-c317dd82-43
0.368
MAR-TRE-c317dd82-28
0.367
MAR-TRE-be9ff7d2-4
0.365
MAR-TRE-9d18ae8c-44
0.365
MAR-TRE-799db12b-83
0.365
MAR-TRE-a9136c7b-25
0.365
MAR-TRE-a9136c7b-75
0.364
MAR-TRE-a9136c7b-39
0.364
MAR-TRE-be9ff7d2-63
0.364
MAR-TRE-a9136c7b-84
0.362
MAR-TRE-66ac689e-78
0.361
MAR-TRE-9d18ae8c-70
0.361
MAR-TRE-799db12b-30
0.360
MAR-TRE-be9ff7d2-58
0.359
MAR-TRE-9d18ae8c-100
0.358
MAR-TRE-4f781e27-16
0.358