Molecular Properties | |
SMILES: | O=C1CCc2cc(S(=O)(=O)NC(=O)c3cncnc3)ccc2N1 |
MW: | 332.06 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 118.12 |
cLogP: | 0.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-92684b97-30
0.608
MAR-TRE-8190bb11-66
0.579
MAR-TRE-9d18ae8c-100
0.527
MAR-TRE-8190bb11-1
0.507
MAR-TRE-4f781e27-97
0.506
MAR-TRE-92684b97-23
0.506
MAR-TRE-66ac689e-6
0.500
MAR-TRE-a9136c7b-61
0.487
MAR-TRE-9d18ae8c-45
0.482
MAR-TRE-4f781e27-52
0.481
MAR-TRE-8190bb11-37
0.480
MAR-TRE-66ac689e-13
0.480
MAR-TRE-92684b97-60
0.479
MAR-TRE-8190bb11-32
0.473
MAR-TRE-4f781e27-87
0.473
MAR-TRE-92684b97-59
0.473
MAR-TRE-4f781e27-62
0.473
MAR-TRE-8190bb11-60
0.467
MAR-TRE-66ac689e-32
0.467
MAR-TRE-4f781e27-10
0.464
MAR-TRE-799db12b-53
0.462
MAR-TRE-a9136c7b-88
0.458
MAR-TRE-66ac689e-16
0.455
MAR-TRE-799db12b-81
0.451
MAR-TRE-92684b97-9
0.447
MAR-TRE-be9ff7d2-23
0.447
MAR-TRE-799db12b-5
0.443
MAR-TRE-8190bb11-94
0.439
MAR-TRE-e82e6c98-63
0.438
MAR-TRE-a9136c7b-79
0.435
MAR-TRE-8190bb11-29
0.434
MAR-TRE-9d18ae8c-44
0.434
MAR-TRE-66ac689e-4
0.434
MAR-TRE-8190bb11-87
0.432
MAR-TRE-4f781e27-46
0.427
MAR-TRE-a9136c7b-1
0.425
MAR-TRE-9d18ae8c-47
0.425
MAR-TRE-799db12b-83
0.417
MAR-TRE-8190bb11-3
0.412
MAR-TRE-a9136c7b-56
0.410
MAR-TRE-799db12b-22
0.410
MAR-TRE-4f781e27-66
0.410
MAR-TRE-9d18ae8c-77
0.407
MAR-TRE-92684b97-13
0.405
MAR-TRE-a9136c7b-3
0.405
MAR-TRE-a9136c7b-39
0.403
MAR-TRE-4f781e27-92
0.402
MAR-TRE-799db12b-1
0.400
MAR-TRE-a9136c7b-15
0.400
MAR-TRE-66ac689e-65
0.400
MAR-TRE-a9136c7b-99
0.395
MAR-TRE-4f781e27-15
0.395
MAR-TRE-9d18ae8c-63
0.392
MAR-TRE-c317dd82-79
0.386
MAR-TRE-9d18ae8c-82
0.386
MAR-TRE-92684b97-65
0.386
MAR-TRE-799db12b-6
0.382
MAR-TRE-8190bb11-57
0.380
MAR-TRE-4f781e27-50
0.380
MAR-TRE-be9ff7d2-45
0.378
MAR-TRE-c317dd82-1
0.378
MAR-TRE-4f781e27-90
0.378
MAR-TRE-92684b97-42
0.376
MAR-TRE-4f781e27-17
0.375
MAR-TRE-4f781e27-63
0.373
MAR-TRE-4f781e27-3
0.372
MAR-TRE-8190bb11-78
0.370
MAR-TRE-be9ff7d2-13
0.370
MAR-TRE-a9136c7b-75
0.367
MAR-TRE-4f781e27-95
0.367
MAR-TRE-8190bb11-15
0.366
MAR-TRE-92684b97-34
0.366
MAR-TRE-c317dd82-100
0.366
MAR-TRE-9d18ae8c-75
0.365
MAR-TRE-9d18ae8c-56
0.365
MAR-TRE-92684b97-33
0.364
MAR-TRE-a9136c7b-20
0.362
MAR-TRE-92684b97-40
0.362
MAR-TRE-be9ff7d2-58
0.362
MAR-TRE-8190bb11-12
0.361
MAR-TRE-8190bb11-45
0.361
MAR-TRE-4f781e27-54
0.361
MAR-TRE-8190bb11-77
0.361
MAR-TRE-4f781e27-59
0.360
MAR-TRE-9d18ae8c-5
0.360
MAR-TRE-8190bb11-53
0.358
MAR-TRE-92684b97-48
0.358
MAR-TRE-a9136c7b-92
0.358
MAR-TRE-a9136c7b-43
0.358
MAR-TRE-c317dd82-36
0.357
MAR-TRE-66ac689e-63
0.357
MAR-TRE-92684b97-21
0.354
MAR-TRE-c317dd82-43
0.354
MAR-TRE-c317dd82-28
0.354
MAR-TRE-799db12b-77
0.353
MAR-TRE-be9ff7d2-4
0.352
MAR-TRE-8190bb11-19
0.352
MAR-TRE-8190bb11-21
0.352
MAR-TRE-8190bb11-44
0.350
MAR-TRE-4f781e27-72
0.350