Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)c1cccc(NS(C)(=O)=O)c1 |
MW: | 320.09 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 101.05 |
cLogP: | 1.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-66ac689e-72
0.688
MAR-TRE-9d18ae8c-9
0.611
MAR-TRE-66ac689e-22
0.594
MAR-TRE-66ac689e-27
0.594
MAR-TRE-9d18ae8c-62
0.537
MAR-TRE-66ac689e-45
0.527
MAR-TRE-8190bb11-5
0.522
MAR-TRE-799db12b-32
0.514
MAR-TRE-799db12b-36
0.494
MAR-TRE-799db12b-49
0.487
MAR-TRE-799db12b-45
0.487
MAR-TRE-66ac689e-73
0.486
MAR-TRE-66ac689e-3
0.472
MAR-TRE-799db12b-100
0.467
MAR-TRE-4f781e27-59
0.449
MAR-TRE-799db12b-82
0.443
MAR-TRE-a9136c7b-13
0.440
MAR-TRE-9d18ae8c-4
0.425
MAR-TRE-a9136c7b-19
0.422
MAR-TRE-9d18ae8c-80
0.418
MAR-TRE-9d18ae8c-1
0.415
MAR-TRE-92684b97-1
0.410
MAR-TRE-8190bb11-28
0.405
MAR-TRE-92684b97-35
0.405
MAR-TRE-9d18ae8c-3
0.400
MAR-TRE-799db12b-99
0.398
MAR-TRE-8190bb11-10
0.397
MAR-TRE-92684b97-77
0.395
MAR-TRE-8190bb11-71
0.392
MAR-TRE-8190bb11-98
0.390
MAK-UNK-6435e6c2-7
0.388
AAR-POS-0daf6b7e-31
0.388
MAR-TRE-8190bb11-59
0.387
MAR-TRE-92684b97-17
0.387
MAR-TRE-4f781e27-14
0.385
MAR-TRE-92684b97-86
0.385
MAR-TRE-66ac689e-93
0.385
MAR-TRE-92684b97-29
0.383
MAR-TRE-8190bb11-47
0.382
MAR-TRE-4f781e27-45
0.380
MAR-TRE-92684b97-85
0.380
MAR-TRE-9d18ae8c-59
0.378
MAR-TRE-66ac689e-41
0.377
MAR-TRE-9d18ae8c-37
0.375
MAR-TRE-66ac689e-84
0.375
MAR-TRE-66ac689e-77
0.373
MAR-TRE-66ac689e-97
0.370
MAR-TRE-4f781e27-20
0.369
MAR-TRE-9d18ae8c-22
0.369
MAR-TRE-a9136c7b-8
0.364
MAR-TRE-8190bb11-11
0.364
MAR-TRE-66ac689e-68
0.362
MAR-TRE-4f781e27-71
0.361
MAR-TRE-9d18ae8c-92
0.360
MAR-TRE-a9136c7b-82
0.357
MAR-TRE-9d18ae8c-19
0.356
MAR-TRE-9d18ae8c-24
0.356
MAR-TRE-66ac689e-66
0.354
MAR-TRE-8190bb11-90
0.353
MAR-TRE-9d18ae8c-30
0.353
MAR-TRE-9d18ae8c-36
0.353
MAR-TRE-799db12b-19
0.352
MAR-TRE-8190bb11-48
0.351
MAR-TRE-66ac689e-57
0.351
MAR-TRE-9d18ae8c-97
0.350
MAR-TRE-799db12b-55
0.350
MAR-TRE-a9136c7b-93
0.349
MAR-TRE-799db12b-31
0.349
MAR-TRE-66ac689e-92
0.349
MAR-TRE-a9136c7b-77
0.349
MAR-TRE-4f781e27-56
0.349
MAR-TRE-4f781e27-68
0.349
WIL-UNI-1faa9b10-7
0.349
MAR-TRE-799db12b-95
0.347
MAR-TRE-9d18ae8c-64
0.346
MAR-TRE-92684b97-80
0.346
MAR-TRE-9d18ae8c-21
0.346
MAR-TRE-9d18ae8c-85
0.346
MAR-TRE-be9ff7d2-6
0.346
MAR-TRE-be9ff7d2-68
0.346
MAR-TRE-8190bb11-56
0.346
MAR-TRE-92684b97-32
0.345
MAR-TRE-c317dd82-41
0.342
MAR-TRE-e82e6c98-30
0.342
MAR-TRE-66ac689e-58
0.342
MAR-TRE-4f781e27-70
0.342
MAR-TRE-a9136c7b-48
0.342
MAR-TRE-66ac689e-18
0.342
MAR-TRE-8190bb11-72
0.342
MAR-TRE-4f781e27-29
0.342
MAR-TRE-8190bb11-97
0.342
MAR-TRE-9d18ae8c-57
0.341
MAR-TRE-9d18ae8c-99
0.341
MAR-TRE-8190bb11-70
0.341
MAR-TRE-92684b97-18
0.341
MAR-TRE-e82e6c98-88
0.341
MAR-TRE-8190bb11-4
0.341
MAR-TRE-92684b97-36
0.341
MAR-TRE-9d18ae8c-54
0.341
MAR-TRE-c317dd82-48
0.338