Molecular Properties | |
SMILES: | CC1Oc2ccc(S(=O)(=O)NC(=O)c3cncnc3)cc2NC1=O |
MW: | 348.05 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 127.35 |
cLogP: | 0.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
Hetero_hetero
MAR-TRE-799db12b-53
0.500
MAR-TRE-92684b97-59
0.493
MAR-TRE-66ac689e-6
0.481
MAR-TRE-66ac689e-13
0.481
MAR-TRE-8190bb11-32
0.474
MAR-TRE-92684b97-23
0.470
MAR-TRE-be9ff7d2-23
0.468
MAR-TRE-4f781e27-10
0.465
MAR-TRE-799db12b-5
0.463
MAR-TRE-92684b97-60
0.461
MAR-TRE-92684b97-94
0.458
MAR-TRE-66ac689e-16
0.456
MAR-TRE-4f781e27-62
0.455
MAR-TRE-4f781e27-87
0.455
MAR-TRE-4f781e27-97
0.452
MAR-TRE-a9136c7b-61
0.451
MAR-TRE-92684b97-9
0.449
MAR-TRE-8190bb11-1
0.449
MAR-TRE-8190bb11-60
0.449
MAR-TRE-66ac689e-32
0.449
MAR-TRE-8190bb11-37
0.443
MAR-TRE-66ac689e-4
0.435
MAR-TRE-9d18ae8c-100
0.432
MAR-TRE-799db12b-22
0.429
MAR-TRE-9d18ae8c-47
0.427
MAR-TRE-8190bb11-94
0.424
MAR-TRE-e82e6c98-63
0.421
MAR-TRE-a9136c7b-79
0.420
MAR-TRE-92684b97-30
0.419
MAR-TRE-8190bb11-87
0.417
MAR-TRE-4f781e27-52
0.414
MAR-TRE-a9136c7b-1
0.411
MAR-TRE-4f781e27-46
0.410
MAR-TRE-9d18ae8c-44
0.402
MAR-TRE-799db12b-81
0.402
MAR-TRE-8190bb11-29
0.400
MAR-TRE-8190bb11-3
0.398
MAR-TRE-9d18ae8c-63
0.395
MAR-TRE-a9136c7b-56
0.395
MAR-TRE-e82e6c98-89
0.395
MAR-TRE-92684b97-13
0.390
MAR-TRE-9d18ae8c-82
0.389
MAR-TRE-c317dd82-79
0.389
MAR-TRE-4f781e27-95
0.388
MAR-TRE-a9136c7b-39
0.388
MAR-TRE-799db12b-1
0.387
MAR-TRE-66ac689e-65
0.386
MAR-TRE-799db12b-6
0.385
MAR-TRE-a9136c7b-99
0.382
MAR-TRE-c317dd82-1
0.381
MAR-TRE-be9ff7d2-45
0.381
MAR-TRE-4f781e27-15
0.381
MAR-TRE-a9136c7b-43
0.378
MAR-TRE-4f781e27-17
0.378
MAR-TRE-9d18ae8c-77
0.378
MAR-TRE-8190bb11-78
0.373
MAR-TRE-a9136c7b-3
0.373
MAR-TRE-92684b97-65
0.372
MAR-TRE-92684b97-34
0.369
MAR-TRE-c317dd82-100
0.369
MAR-TRE-a9136c7b-15
0.369
MAR-TRE-92684b97-40
0.366
MAR-TRE-be9ff7d2-58
0.366
MAR-TRE-4f781e27-54
0.365
MAR-TRE-4f781e27-90
0.365
MAR-TRE-8190bb11-12
0.365
MAR-TRE-8190bb11-77
0.365
MAR-TRE-92684b97-48
0.361
MAR-TRE-a9136c7b-92
0.361
MAR-TRE-8190bb11-53
0.361
MAR-TRE-66ac689e-63
0.360
MAR-TRE-c317dd82-87
0.357
MAR-TRE-be9ff7d2-13
0.357
MAR-TRE-c317dd82-28
0.357
MAR-TRE-799db12b-83
0.356
MAR-TRE-be9ff7d2-63
0.354
MAR-TRE-4f781e27-72
0.354
MAR-TRE-799db12b-10
0.353
MAR-TRE-9d18ae8c-25
0.353
MAR-TRE-92684b97-69
0.353
MAR-TRE-8190bb11-84
0.353
MAR-TRE-8190bb11-57
0.349
MAR-TRE-4f781e27-50
0.349
MAR-TRE-a9136c7b-40
0.349
MAR-TRE-8190bb11-45
0.349
MAR-TRE-799db12b-38
0.349
MAR-TRE-4f781e27-66
0.348
MAR-TRE-9d18ae8c-5
0.348
MAR-TRE-4f781e27-42
0.345
MAR-TRE-e82e6c98-58
0.345
MAR-TRE-c317dd82-36
0.345
MAR-TRE-92684b97-58
0.345
MAR-TRE-4f781e27-3
0.344
MAR-TRE-92684b97-21
0.341
MAR-TRE-799db12b-77
0.341
MAR-TRE-799db12b-88
0.341
MAR-TRE-be9ff7d2-4
0.341
MAR-TRE-8190bb11-19
0.341
MAR-TRE-8190bb11-21
0.341
MAR-TRE-9d18ae8c-45
0.340