Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccnc(NC(=O)c2cncnc2)c1 |
MW: | 278.05 |
Fraction sp3: | 0.09 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 101.91 |
cLogP: | 0.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-13
0.423
MAR-TRE-8190bb11-24
0.418
MAR-TRE-be9ff7d2-17
0.417
MAR-TRE-be9ff7d2-56
0.415
MAR-TRE-8190bb11-5
0.391
MAR-TRE-be9ff7d2-23
0.389
MAR-TRE-66ac689e-13
0.384
MAR-TRE-66ac689e-14
0.380
MAR-TRE-8190bb11-47
0.375
MAR-TRE-66ac689e-76
0.372
MAR-TRE-9d18ae8c-4
0.367
MAR-TRE-66ac689e-16
0.360
MAR-TRE-66ac689e-30
0.360
MAR-TRE-9d18ae8c-1
0.358
MAR-TRE-8190bb11-100
0.358
MAR-TRE-be9ff7d2-58
0.356
MAR-TRE-92684b97-1
0.354
MAR-TRE-a9136c7b-56
0.351
MAR-TRE-799db12b-26
0.349
MAR-TRE-66ac689e-10
0.349
MAR-TRE-8190bb11-13
0.347
MAR-TRE-c317dd82-28
0.347
MAR-TRE-92684b97-11
0.347
MAR-TRE-799db12b-86
0.346
MAR-TRE-9d18ae8c-3
0.345
MAR-TRE-4f781e27-95
0.342
MAR-TRE-92684b97-60
0.342
MAR-TRE-66ac689e-12
0.342
MAR-TRE-66ac689e-5
0.342
MAR-TRE-66ac689e-99
0.341
MAR-TRE-4f781e27-67
0.341
MAR-TRE-92684b97-59
0.338
MAR-TRE-799db12b-35
0.338
MAR-TRE-4f781e27-15
0.338
MAR-TRE-799db12b-37
0.337
MAR-TRE-799db12b-5
0.333
MAR-TRE-799db12b-39
0.333
MAR-TRE-4f781e27-19
0.333
MAR-TRE-be9ff7d2-36
0.333
MAR-TRE-66ac689e-22
0.333
MAR-TRE-66ac689e-25
0.333
MAR-TRE-8190bb11-4
0.333
MAR-TRE-8190bb11-50
0.333
MAR-TRE-9d18ae8c-63
0.333
MAR-TRE-be9ff7d2-83
0.333
MAR-TRE-a9136c7b-9
0.329
MAR-TRE-a9136c7b-65
0.329
MAR-TRE-799db12b-34
0.329
MAR-TRE-799db12b-93
0.329
MAR-TRE-8190bb11-78
0.329
MAR-TRE-4f781e27-46
0.329
MAR-TRE-799db12b-25
0.325
MAR-TRE-92684b97-25
0.325
MAR-TRE-a9136c7b-61
0.325
MAR-TRE-4f781e27-80
0.325
MAR-TRE-a9136c7b-84
0.325
MAR-TRE-9d18ae8c-48
0.325
MAR-TRE-4f781e27-72
0.324
MAR-TRE-8190bb11-44
0.324
MAR-TRE-c317dd82-88
0.324
MAR-TRE-a9136c7b-16
0.322
MAR-TRE-9d18ae8c-77
0.321
MAR-TRE-c317dd82-1
0.321
MAR-TRE-be9ff7d2-6
0.321
MAR-TRE-a9136c7b-28
0.321
MAR-TRE-799db12b-63
0.321
MAR-TRE-8190bb11-32
0.320
MAR-TRE-92684b97-40
0.320
MAR-TRE-4f781e27-62
0.320
MAR-TRE-66ac689e-88
0.320
MAR-TRE-4f781e27-87
0.320
MAR-TRE-9d18ae8c-15
0.320
MAR-TRE-4f781e27-99
0.320
MAR-TRE-4f781e27-49
0.319
MAR-TRE-e82e6c98-63
0.319
MAR-TRE-8190bb11-94
0.317
MAR-TRE-e82e6c98-46
0.317
MAR-TRE-799db12b-73
0.316
MAR-TRE-e82e6c98-58
0.316
MAR-TRE-799db12b-53
0.316
MAR-TRE-66ac689e-6
0.316
MAR-TRE-66ac689e-27
0.316
MAR-TRE-66ac689e-73
0.316
MAR-TRE-92684b97-58
0.316
MAR-TRE-8190bb11-1
0.316
MAR-TRE-66ac689e-32
0.316
MAR-TRE-a9136c7b-43
0.316
MAR-TRE-66ac689e-3
0.316
MAR-TRE-8190bb11-60
0.316
MAR-TRE-92684b97-9
0.316
MAR-TRE-92684b97-48
0.316
MAR-TRE-e82e6c98-27
0.315
MAR-TRE-a9136c7b-12
0.313
MAR-TRE-799db12b-81
0.313
MAR-TRE-66ac689e-4
0.313
MAR-TRE-799db12b-43
0.313
MAR-TRE-4f781e27-97
0.313
MAR-TRE-92684b97-65
0.312
MAR-TRE-a9136c7b-34
0.312
MAR-TRE-66ac689e-8
0.312