Molecular Properties | |
SMILES: | COc1c(F)cc(CC(=O)O)cc1S(=O)(=O)NC(=O)c1cncnc1 |
MW: | 369.04 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 135.55 |
cLogP: | 0.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
MAR-TRE-799db12b-77
0.634
MAR-TRE-a9136c7b-20
0.467
MAR-TRE-8190bb11-57
0.467
MAR-TRE-a9136c7b-92
0.461
MAR-TRE-8190bb11-38
0.457
MAR-TRE-8190bb11-78
0.455
MAR-TRE-8190bb11-77
0.443
MAR-TRE-8190bb11-45
0.443
MAR-TRE-66ac689e-63
0.438
MAR-TRE-e82e6c98-58
0.438
MAR-TRE-4f781e27-72
0.434
MAR-TRE-92684b97-69
0.430
MAR-TRE-799db12b-10
0.430
MAR-TRE-92684b97-40
0.429
MAR-TRE-8190bb11-12
0.425
MAR-TRE-be9ff7d2-45
0.425
MAR-TRE-92684b97-48
0.423
MAR-TRE-4f781e27-17
0.423
MAR-TRE-8190bb11-37
0.418
MAR-TRE-66ac689e-13
0.418
MAR-TRE-8190bb11-15
0.412
MAR-TRE-92684b97-34
0.412
MAR-TRE-4f781e27-61
0.412
MAR-TRE-a9136c7b-40
0.410
MAR-TRE-a9136c7b-90
0.410
MAR-TRE-8190bb11-87
0.410
MAR-TRE-4f781e27-54
0.407
MAR-TRE-4f781e27-15
0.407
MAR-TRE-92684b97-33
0.407
MAR-TRE-4f781e27-42
0.405
MAR-TRE-8190bb11-53
0.405
MAR-TRE-8190bb11-1
0.405
MAR-TRE-9d18ae8c-47
0.402
MAR-TRE-799db12b-5
0.402
MAR-TRE-92684b97-13
0.400
MAR-TRE-a9136c7b-60
0.398
MAR-TRE-8190bb11-84
0.395
MAR-TRE-c317dd82-100
0.395
MAR-TRE-9d18ae8c-25
0.395
MAR-TRE-8190bb11-29
0.392
MAR-TRE-8190bb11-66
0.391
MAR-TRE-c317dd82-1
0.390
MAR-TRE-4f781e27-63
0.386
MAR-TRE-92684b97-21
0.385
MAR-TRE-be9ff7d2-13
0.383
MAR-TRE-66ac689e-44
0.381
MAR-TRE-4f781e27-95
0.380
MAR-TRE-8190bb11-19
0.379
MAR-TRE-66ac689e-16
0.378
MAR-TRE-a9136c7b-15
0.378
MAR-TRE-e82e6c98-63
0.377
MAR-TRE-9d18ae8c-56
0.376
MAR-TRE-9d18ae8c-75
0.376
MAR-TRE-e82e6c98-76
0.375
MAR-TRE-4f781e27-50
0.375
MAR-TRE-4f781e27-62
0.375
MAR-TRE-8190bb11-18
0.371
MAR-TRE-799db12b-42
0.371
MAR-TRE-e82e6c98-45
0.370
MAR-TRE-9d18ae8c-63
0.370
MAR-TRE-e82e6c98-89
0.370
MAR-TRE-a9136c7b-56
0.370
MAR-TRE-66ac689e-50
0.369
MAR-TRE-92684b97-58
0.369
MAR-TRE-4f781e27-3
0.368
MAR-TRE-4f781e27-46
0.367
MAR-TRE-c317dd82-43
0.367
MAR-TRE-c317dd82-79
0.367
MAR-TRE-92684b97-90
0.365
MAR-TRE-4f781e27-37
0.365
MAR-TRE-799db12b-88
0.365
MAR-TRE-be9ff7d2-4
0.364
MAR-TRE-a9136c7b-75
0.362
MAR-TRE-be9ff7d2-31
0.362
MAR-TRE-be9ff7d2-63
0.362
MAR-TRE-a9136c7b-84
0.361
MAR-TRE-66ac689e-78
0.360
MAR-TRE-4f781e27-30
0.360
MAR-TRE-799db12b-30
0.360
MAR-TRE-92684b97-59
0.358
MAR-TRE-4f781e27-87
0.358
MAR-TRE-9d18ae8c-73
0.358
MAR-TRE-8190bb11-32
0.358
MAR-TRE-be9ff7d2-58
0.358
MAR-TRE-be9ff7d2-27
0.356
MAR-TRE-4f781e27-66
0.356
MAR-TRE-66ac689e-32
0.354
MAR-TRE-be9ff7d2-23
0.354
MAR-TRE-92684b97-9
0.354
MAR-TRE-c317dd82-36
0.353
MAR-TRE-4f781e27-89
0.352
MAR-TRE-92684b97-78
0.351
MAR-TRE-92684b97-66
0.350
MAR-TRE-a9136c7b-3
0.349
MAR-TRE-8190bb11-55
0.349
MAR-TRE-8190bb11-95
0.349
MAR-TRE-4f781e27-55
0.349
MAR-TRE-799db12b-83
0.348
MAR-TRE-66ac689e-65
0.348
MAR-TRE-4f781e27-97
0.348