Molecular Properties | |
SMILES: | CC(C)(C)c1cc(NC(=O)c2cncnc2)n(C2CCS(=O)(=O)C2)n1 |
MW: | 363.14 |
Fraction sp3: | 0.5 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 106.84 |
cLogP: | 1.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-19
0.333
MAR-TRE-e82e6c98-47
0.321
MAR-TRE-be9ff7d2-70
0.315
MAR-TRE-e82e6c98-41
0.313
MAR-TRE-c317dd82-82
0.310
MAR-TRE-e82e6c98-28
0.308
MAR-TRE-c317dd82-68
0.305
MAR-TRE-92684b97-83
0.303
MAR-TRE-e82e6c98-99
0.301
MAR-TRE-4f781e27-89
0.298
MAR-TRE-9d18ae8c-2
0.297
MAR-TRE-c317dd82-46
0.295
MAR-TRE-9d18ae8c-76
0.294
MAR-TRE-c317dd82-6
0.293
MAR-TRE-be9ff7d2-56
0.293
MAR-TRE-e82e6c98-48
0.292
MAR-TRE-799db12b-40
0.292
MAR-TRE-4f781e27-67
0.292
MAR-TRE-a9136c7b-83
0.290
MAR-TRE-8190bb11-69
0.289
MAR-TRE-e82e6c98-74
0.287
MAR-TRE-66ac689e-31
0.287
MAR-TRE-8190bb11-46
0.287
MAR-TRE-66ac689e-51
0.286
MAR-TRE-e82e6c98-85
0.286
MAR-TRE-4f781e27-90
0.286
MAR-TRE-c317dd82-14
0.284
MAR-TRE-be9ff7d2-46
0.284
MAR-TRE-e82e6c98-10
0.284
MAR-TRE-799db12b-68
0.284
MAR-TRE-92684b97-40
0.284
MAR-TRE-8190bb11-65
0.284
MAR-TRE-a9136c7b-32
0.283
MAR-TRE-a9136c7b-10
0.283
MAR-TRE-e82e6c98-35
0.283
MAR-TRE-c317dd82-57
0.283
MAR-TRE-799db12b-39
0.283
MAR-TRE-8190bb11-85
0.282
MAR-TRE-be9ff7d2-83
0.281
MAR-TRE-a9136c7b-24
0.280
MAR-TRE-e82e6c98-15
0.279
MAR-TRE-be9ff7d2-77
0.278
MAR-TRE-be9ff7d2-99
0.278
MAR-TRE-66ac689e-99
0.278
MAR-TRE-8190bb11-100
0.278
MAR-TRE-be9ff7d2-42
0.278
MAR-TRE-c317dd82-78
0.277
MAR-TRE-a9136c7b-61
0.277
MAR-TRE-8190bb11-30
0.277
MAR-TRE-a9136c7b-94
0.276
MAR-TRE-4f781e27-41
0.276
MAR-TRE-be9ff7d2-88
0.276
MAR-TRE-c317dd82-85
0.276
MAR-TRE-4f781e27-22
0.275
MAR-TRE-4f781e27-31
0.275
MAR-TRE-a9136c7b-42
0.274
MAR-TRE-799db12b-7
0.274
MAR-TRE-c317dd82-44
0.274
MAR-TRE-66ac689e-40
0.274
MAR-TRE-66ac689e-76
0.274
MAR-TRE-9d18ae8c-38
0.274
MAR-TRE-c317dd82-2
0.273
MAR-TRE-e82e6c98-80
0.273
MAR-TRE-e82e6c98-37
0.273
MAR-TRE-8190bb11-42
0.273
MAR-TRE-8190bb11-61
0.273
MAR-TRE-9d18ae8c-58
0.272
MAR-TRE-92684b97-20
0.272
MAR-TRE-9d18ae8c-100
0.272
MAR-TRE-be9ff7d2-60
0.271
MAR-TRE-c317dd82-72
0.271
MAR-TRE-be9ff7d2-55
0.271
MAR-TRE-a9136c7b-64
0.271
MAR-TRE-be9ff7d2-47
0.271
MAR-TRE-be9ff7d2-74
0.271
MAR-TRE-c317dd82-88
0.271
MAR-TRE-92684b97-57
0.271
MAR-TRE-e82e6c98-24
0.270
MAR-TRE-e82e6c98-49
0.270
MAR-TRE-c317dd82-8
0.270
MAR-TRE-be9ff7d2-25
0.270
MAR-TRE-9d18ae8c-15
0.270
MAR-TRE-9d18ae8c-29
0.269
MAR-TRE-66ac689e-2
0.269
MAR-TRE-8190bb11-33
0.269
MAR-TRE-66ac689e-6
0.269
MAR-TRE-799db12b-34
0.268
MAR-TRE-799db12b-86
0.268
MAR-TRE-799db12b-43
0.268
MAR-TRE-a9136c7b-57
0.268
MAR-TRE-a9136c7b-65
0.268
MAR-TRE-4f781e27-47
0.268
MAR-TRE-c317dd82-98
0.267
MAR-TRE-be9ff7d2-52
0.267
MAR-TRE-a9136c7b-16
0.267
MAR-TRE-92684b97-48
0.267
MAR-TRE-799db12b-44
0.266
MAR-TRE-799db12b-70
0.266
MAR-TRE-66ac689e-17
0.266
MAR-TRE-799db12b-25
0.265