Molecular Properties | |
SMILES: | Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cncnc1 |
MW: | 302.05 |
Fraction sp3: | 0.08 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 112.81 |
cLogP: | 0.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-92684b97-40
0.635
MAR-TRE-8190bb11-84
0.631
MAR-TRE-92684b97-13
0.615
MAR-TRE-92684b97-21
0.530
MAR-TRE-92684b97-9
0.529
MAR-TRE-92684b97-59
0.515
MAR-TRE-c317dd82-28
0.500
MAR-TRE-a9136c7b-39
0.500
MAR-TRE-4f781e27-72
0.500
MAR-TRE-8190bb11-15
0.493
MAR-TRE-92684b97-48
0.486
MAR-TRE-799db12b-10
0.472
MAR-TRE-8190bb11-57
0.471
MAR-TRE-9d18ae8c-63
0.465
MAR-TRE-8190bb11-1
0.465
MAR-TRE-66ac689e-63
0.459
MAR-TRE-8190bb11-78
0.458
MAR-TRE-92684b97-60
0.457
MAR-TRE-799db12b-77
0.453
MAR-TRE-92684b97-34
0.452
MAR-TRE-a9136c7b-20
0.451
MAR-TRE-4f781e27-15
0.446
MAR-TRE-8190bb11-77
0.446
MAR-TRE-a9136c7b-43
0.444
MAR-TRE-a9136c7b-92
0.444
MAR-TRE-8190bb11-53
0.444
MAR-TRE-8190bb11-60
0.444
MAR-TRE-4f781e27-17
0.444
MAR-TRE-e82e6c98-58
0.440
MAR-TRE-be9ff7d2-13
0.438
MAR-TRE-66ac689e-13
0.438
MAR-TRE-be9ff7d2-31
0.437
MAR-TRE-8190bb11-44
0.437
MAR-TRE-4f781e27-95
0.437
MAR-TRE-66ac689e-44
0.434
MAR-TRE-92684b97-90
0.434
MAR-TRE-9d18ae8c-25
0.432
MAR-TRE-a9136c7b-40
0.431
MAR-TRE-4f781e27-50
0.431
MAR-TRE-66ac689e-11
0.430
MAR-TRE-a9136c7b-90
0.429
MAR-TRE-4f781e27-54
0.427
MAR-TRE-92684b97-33
0.425
MAR-TRE-92684b97-42
0.423
MAR-TRE-8190bb11-38
0.423
MAR-TRE-66ac689e-50
0.421
MAR-TRE-4f781e27-63
0.421
MAR-TRE-799db12b-42
0.420
MAR-TRE-8190bb11-37
0.419
MAR-TRE-a9136c7b-60
0.416
MAR-TRE-c317dd82-100
0.413
MAR-TRE-66ac689e-16
0.413
MAR-TRE-4f781e27-87
0.411
MAR-TRE-8190bb11-87
0.410
MAR-TRE-9d18ae8c-56
0.410
MAR-TRE-9d18ae8c-75
0.410
MAR-TRE-8190bb11-12
0.408
MAR-TRE-8190bb11-45
0.408
MAR-TRE-e82e6c98-45
0.405
MAR-TRE-e82e6c98-89
0.405
MAR-TRE-a9136c7b-56
0.405
MAR-TRE-66ac689e-32
0.405
MAR-TRE-be9ff7d2-27
0.405
MAR-TRE-4f781e27-66
0.405
MAR-TRE-4f781e27-46
0.403
MAR-TRE-66ac689e-6
0.403
MAR-TRE-92684b97-58
0.403
MAR-TRE-8190bb11-55
0.400
MAR-TRE-799db12b-88
0.397
MAR-TRE-4f781e27-55
0.397
MAR-TRE-be9ff7d2-63
0.397
MAR-TRE-be9ff7d2-4
0.395
MAR-TRE-8190bb11-19
0.395
MAR-TRE-4f781e27-97
0.395
MAR-TRE-4f781e27-61
0.395
MAR-TRE-a9136c7b-84
0.395
MAR-TRE-92684b97-24
0.395
MAR-TRE-e82e6c98-63
0.394
MAR-TRE-9d18ae8c-70
0.392
MAR-TRE-4f781e27-30
0.392
MAR-TRE-be9ff7d2-58
0.392
MAR-TRE-8190bb11-29
0.392
MAR-TRE-8190bb11-32
0.392
MAR-TRE-4f781e27-25
0.392
MAR-TRE-4f781e27-62
0.392
MAR-TRE-799db12b-30
0.390
MAR-TRE-8190bb11-66
0.390
MAR-TRE-be9ff7d2-23
0.387
MAR-TRE-4f781e27-42
0.387
MAR-TRE-799db12b-5
0.385
MAR-TRE-8190bb11-94
0.383
MAR-TRE-4f781e27-89
0.383
MAR-TRE-4f781e27-3
0.383
MAR-TRE-a9136c7b-3
0.382
MAR-TRE-92684b97-65
0.380
MAR-TRE-a9136c7b-75
0.378
MAR-TRE-799db12b-81
0.378
MAR-TRE-799db12b-83
0.378
MAR-TRE-a9136c7b-15
0.377
MAR-TRE-66ac689e-78
0.375