Molecular Properties | |
SMILES: | COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2cncnc2)cc1 |
MW: | 386.08 |
Fraction sp3: | 0.06 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 136.06 |
cLogP: | 1.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-92684b97-25
0.550
MAR-TRE-a9136c7b-9
0.530
MAR-TRE-799db12b-93
0.464
MAR-TRE-66ac689e-88
0.412
MAR-TRE-66ac689e-76
0.391
MAR-TRE-9d18ae8c-15
0.378
MAR-TRE-e82e6c98-58
0.372
MAR-TRE-66ac689e-25
0.371
MAR-TRE-9d18ae8c-58
0.360
MAR-TRE-66ac689e-51
0.360
MAR-TRE-a9136c7b-64
0.356
MAR-TRE-66ac689e-10
0.355
MAR-TRE-799db12b-86
0.352
MAR-TRE-e82e6c98-74
0.349
MAR-TRE-4f781e27-12
0.349
MAR-TRE-8190bb11-69
0.349
MAR-TRE-a9136c7b-99
0.348
MAR-TRE-8190bb11-65
0.345
MAR-TRE-8190bb11-4
0.341
MAR-TRE-8190bb11-7
0.333
MAR-TRE-4f781e27-31
0.333
MAR-TRE-799db12b-25
0.333
MAR-TRE-799db12b-17
0.330
MAR-TRE-799db12b-37
0.330
MAR-TRE-66ac689e-2
0.326
MAR-TRE-9d18ae8c-29
0.326
MAR-TRE-799db12b-5
0.326
MAR-TRE-4f781e27-1
0.323
MAR-TRE-66ac689e-30
0.318
MAR-TRE-e82e6c98-80
0.318
MAR-TRE-3724962b-18
0.318
MAR-TRE-be9ff7d2-15
0.315
MAR-TRE-8190bb11-77
0.315
MAR-TRE-8190bb11-24
0.313
MAR-TRE-e82e6c98-38
0.312
MAR-TRE-be9ff7d2-23
0.310
MAR-TRE-9d18ae8c-49
0.309
MAR-TRE-be9ff7d2-56
0.309
MAR-TRE-799db12b-43
0.309
MAR-TRE-4f781e27-47
0.309
MAR-TRE-a9136c7b-87
0.308
MAR-TRE-66ac689e-15
0.307
MAR-TRE-799db12b-74
0.307
MAR-TRE-8190bb11-78
0.307
MAR-TRE-8190bb11-13
0.306
MAR-TRE-4f781e27-67
0.305
MAR-TRE-c317dd82-48
0.305
MAR-TRE-be9ff7d2-95
0.302
MAR-TRE-8190bb11-38
0.301
MAR-TRE-4f781e27-62
0.299
MAR-TRE-8190bb11-47
0.299
MAR-TRE-92684b97-59
0.299
MAR-TRE-66ac689e-89
0.298
MAR-TRE-be9ff7d2-86
0.297
MAR-TRE-be9ff7d2-83
0.295
MAR-TRE-a9136c7b-92
0.295
MAR-TRE-8190bb11-1
0.295
MAR-TRE-a9136c7b-12
0.295
MAR-TRE-a9136c7b-57
0.295
MAR-TRE-a9136c7b-65
0.295
MAR-TRE-799db12b-34
0.295
MAR-TRE-92684b97-30
0.295
MAR-TRE-2fd8122f-82
0.295
MAR-TRE-c317dd82-59
0.295
MAR-TRE-8190bb11-5
0.294
MAR-TRE-be9ff7d2-36
0.294
MAR-TRE-be9ff7d2-13
0.292
MAR-TRE-66ac689e-13
0.292
MAR-TRE-92684b97-13
0.292
MAR-TRE-799db12b-40
0.292
MAR-TRE-8190bb11-100
0.292
MAR-TRE-4f781e27-52
0.292
MAR-TRE-a9136c7b-61
0.290
MAR-TRE-c317dd82-91
0.289
MAR-TRE-be9ff7d2-17
0.289
MAR-TRE-a9136c7b-84
0.289
MAR-TRE-799db12b-10
0.289
MAR-TRE-66ac689e-16
0.289
MAR-TRE-9d18ae8c-77
0.289
MAR-TRE-4f781e27-95
0.287
MAR-TRE-66ac689e-57
0.287
MAR-TRE-92684b97-60
0.287
MAR-TRE-66ac689e-14
0.287
MAR-TRE-a9136c7b-89
0.287
MAR-TRE-c317dd82-44
0.287
MAR-TRE-a9136c7b-42
0.287
MAR-TRE-799db12b-20
0.286
MAR-TRE-799db12b-38
0.286
MAR-TRE-4f781e27-15
0.286
MAR-TRE-f5c2d31c-80
0.286
MAR-TRE-799db12b-2
0.284
MAR-TRE-92684b97-84
0.284
MAR-TRE-be9ff7d2-58
0.284
MAR-TRE-4f781e27-87
0.284
MAR-TRE-8190bb11-32
0.284
MAR-TRE-9d18ae8c-85
0.284
MAR-TRE-a9136c7b-32
0.283
MAR-TRE-c317dd82-56
0.283
MAR-TRE-a9136c7b-10
0.283
MAR-TRE-66ac689e-6
0.283