Molecular Properties | |
SMILES: | Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)c3cncnc3)ccc21 |
MW: | 347.07 |
Fraction sp3: | 0.14 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 115.95 |
cLogP: | -0.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
Hetero_hetero
MAR-TRE-66ac689e-6
0.577
MAR-TRE-a9136c7b-79
0.538
MAR-TRE-92684b97-59
0.529
MAR-TRE-4f781e27-97
0.519
MAR-TRE-66ac689e-13
0.514
MAR-TRE-66ac689e-16
0.507
MAR-TRE-a9136c7b-1
0.506
MAR-TRE-799db12b-5
0.493
MAR-TRE-799db12b-53
0.493
MAR-TRE-8190bb11-37
0.493
MAR-TRE-92684b97-60
0.493
MAR-TRE-92684b97-94
0.487
MAR-TRE-8190bb11-32
0.486
MAR-TRE-4f781e27-87
0.486
MAR-TRE-4f781e27-62
0.486
MAR-TRE-9d18ae8c-100
0.480
MAR-TRE-c317dd82-1
0.480
MAR-TRE-66ac689e-32
0.479
MAR-TRE-8190bb11-1
0.479
MAR-TRE-8190bb11-60
0.479
MAR-TRE-e82e6c98-63
0.471
MAR-TRE-799db12b-81
0.463
MAR-TRE-92684b97-23
0.463
MAR-TRE-92684b97-30
0.463
MAR-TRE-be9ff7d2-45
0.461
MAR-TRE-92684b97-9
0.459
MAR-TRE-be9ff7d2-23
0.459
MAR-TRE-4f781e27-52
0.457
MAR-TRE-be9ff7d2-13
0.453
MAR-TRE-a9136c7b-88
0.451
MAR-TRE-8190bb11-94
0.450
MAR-TRE-66ac689e-4
0.444
MAR-TRE-9d18ae8c-44
0.444
MAR-TRE-8190bb11-87
0.443
MAR-TRE-8190bb11-3
0.442
MAR-TRE-4f781e27-46
0.438
MAR-TRE-799db12b-22
0.438
MAR-TRE-9d18ae8c-47
0.436
MAR-TRE-92684b97-13
0.434
MAR-TRE-9d18ae8c-77
0.434
MAR-TRE-66ac689e-65
0.427
MAR-TRE-8190bb11-29
0.427
MAR-TRE-799db12b-1
0.425
MAR-TRE-4f781e27-10
0.424
MAR-TRE-a9136c7b-99
0.422
MAR-TRE-9d18ae8c-63
0.421
MAR-TRE-a9136c7b-56
0.421
MAR-TRE-a9136c7b-3
0.416
MAR-TRE-4f781e27-72
0.413
MAR-TRE-a9136c7b-39
0.413
MAR-TRE-9d18ae8c-82
0.412
MAR-TRE-799db12b-6
0.407
MAR-TRE-4f781e27-15
0.405
MAR-TRE-4f781e27-90
0.405
MAR-TRE-a9136c7b-92
0.403
MAR-TRE-c317dd82-36
0.400
MAR-TRE-8190bb11-78
0.397
MAR-TRE-92684b97-65
0.395
MAR-TRE-4f781e27-95
0.395
MAR-TRE-be9ff7d2-31
0.395
MAR-TRE-8190bb11-21
0.393
MAR-TRE-a9136c7b-15
0.392
MAR-TRE-92684b97-40
0.390
MAR-TRE-8190bb11-77
0.388
MAR-TRE-4f781e27-17
0.385
MAR-TRE-92684b97-48
0.385
MAR-TRE-e82e6c98-89
0.385
MAR-TRE-4f781e27-89
0.381
MAR-TRE-799db12b-77
0.378
MAR-TRE-a9136c7b-87
0.378
MAR-TRE-799db12b-10
0.375
MAR-TRE-92684b97-34
0.375
MAR-TRE-92684b97-69
0.375
MAR-TRE-9d18ae8c-25
0.375
MAR-TRE-c317dd82-100
0.375
MAR-TRE-8190bb11-63
0.373
MAR-TRE-a9136c7b-41
0.373
MAR-TRE-9d18ae8c-75
0.373
MAR-TRE-4f781e27-50
0.372
MAR-TRE-be9ff7d2-58
0.372
MAR-TRE-8190bb11-57
0.372
MAR-TRE-8190bb11-38
0.369
MAR-TRE-e82e6c98-90
0.369
MAR-TRE-9d18ae8c-5
0.368
MAR-TRE-8190bb11-53
0.367
MAR-TRE-e82e6c98-45
0.367
MAR-TRE-e82e6c98-58
0.366
MAR-TRE-66ac689e-63
0.366
MAR-TRE-92684b97-21
0.364
MAR-TRE-8190bb11-55
0.362
MAR-TRE-c317dd82-28
0.362
MAR-TRE-a9136c7b-25
0.360
MAR-TRE-9d18ae8c-45
0.360
MAR-TRE-be9ff7d2-63
0.359
MAR-TRE-a9136c7b-75
0.359
MAR-TRE-8190bb11-44
0.359
MAR-TRE-8190bb11-84
0.358
MAR-TRE-66ac689e-39
0.358
MAR-TRE-a9136c7b-84
0.358
MAR-TRE-8190bb11-15
0.358