Molecular Properties | |
SMILES: | COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cncnc2)cc1 |
MW: | 384.09 |
Fraction sp3: | 0.06 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 110.28 |
cLogP: | 2.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-a9136c7b-9
0.689
MAR-TRE-799db12b-26
0.550
MAR-TRE-799db12b-93
0.476
MAR-TRE-fd17a9b8-93
0.443
MAR-TRE-e82e6c98-58
0.415
MAR-TRE-66ac689e-88
0.405
MAR-TRE-66ac689e-30
0.390
MAR-TRE-9d18ae8c-15
0.388
MAR-TRE-66ac689e-25
0.379
MAR-TRE-799db12b-74
0.378
MAR-TRE-2fd8122f-82
0.375
MAR-TRE-799db12b-86
0.375
MAR-TRE-8190bb11-69
0.373
MAR-TRE-a9136c7b-99
0.371
MAR-TRE-9d18ae8c-58
0.369
MAR-TRE-66ac689e-76
0.368
MAR-TRE-799db12b-5
0.365
MAR-TRE-9d18ae8c-99
0.365
MAR-TRE-a9136c7b-64
0.364
MAR-TRE-66ac689e-10
0.363
MAR-TRE-8190bb11-78
0.361
MAR-TRE-4f781e27-12
0.358
MAR-TRE-2fd8122f-65
0.356
MAR-TRE-799db12b-25
0.356
MAR-TRE-8190bb11-65
0.354
MAR-TRE-799db12b-20
0.353
MAR-TRE-66ac689e-51
0.353
MAR-TRE-799db12b-37
0.352
MAR-TRE-66ac689e-50
0.349
MAR-TRE-8190bb11-4
0.348
MAR-TRE-c317dd82-48
0.346
MAR-TRE-8190bb11-51
0.345
MAR-TRE-4f781e27-47
0.344
MAR-TRE-a9136c7b-12
0.344
MAR-TRE-4f781e27-31
0.341
MAR-TRE-8190bb11-7
0.341
MAR-TRE-9d18ae8c-69
0.337
MAR-TRE-799db12b-63
0.337
MAR-TRE-a9136c7b-92
0.333
MAR-TRE-66ac689e-24
0.333
MAR-TRE-9d18ae8c-14
0.333
MAR-TRE-9d18ae8c-29
0.333
MAR-TRE-92684b97-84
0.333
MAR-TRE-66ac689e-2
0.333
MAR-TRE-2fd8122f-24
0.330
MAR-TRE-a9136c7b-10
0.330
MAR-TRE-9d18ae8c-49
0.330
MAR-TRE-4f781e27-57
0.330
MAR-TRE-66ac689e-15
0.329
MAR-TRE-4f781e27-67
0.326
MAR-TRE-9d18ae8c-70
0.326
MAR-TRE-e82e6c98-74
0.325
MAR-TRE-799db12b-17
0.323
MAR-TRE-799db12b-85
0.323
MAR-TRE-66ac689e-40
0.322
MAR-TRE-8190bb11-38
0.322
MAR-TRE-92684b97-96
0.322
MAR-TRE-8190bb11-77
0.322
MAR-TRE-8190bb11-24
0.321
MAR-TRE-2fd8122f-40
0.320
MAR-TRE-e82e6c98-38
0.319
MAR-TRE-8190bb11-67
0.319
MAR-TRE-9d18ae8c-83
0.319
MAR-TRE-be9ff7d2-86
0.318
MAR-TRE-66ac689e-73
0.318
MAR-TRE-8190bb11-5
0.317
MAR-TRE-be9ff7d2-56
0.316
MAR-TRE-4f781e27-1
0.316
MAR-TRE-799db12b-34
0.315
MAR-TRE-a9136c7b-65
0.315
MAR-TRE-9d18ae8c-35
0.315
MAR-TRE-66ac689e-8
0.315
MAR-TRE-8190bb11-13
0.313
MAR-TRE-8190bb11-100
0.312
MAR-TRE-66ac689e-72
0.310
MAR-TRE-e82e6c98-80
0.310
MAR-TRE-66ac689e-57
0.310
BAR-COM-4e090d3a-57
0.309
MAR-TRE-92684b97-32
0.309
MAR-TRE-9d18ae8c-77
0.309
MAR-TRE-92684b97-1
0.309
MAR-TRE-be9ff7d2-6
0.307
MAR-TRE-799db12b-32
0.307
MAR-TRE-4f781e27-54
0.307
MAR-TRE-799db12b-38
0.307
MAR-TRE-8190bb11-47
0.306
MAR-TRE-92684b97-59
0.306
MAR-TRE-9d18ae8c-82
0.305
MAR-TRE-4f781e27-49
0.305
MAR-TRE-4f781e27-34
0.304
MAR-TRE-a9136c7b-68
0.304
MAR-TRE-799db12b-60
0.304
MAR-TRE-4f781e27-63
0.303
MAR-TRE-799db12b-73
0.303
MAR-TRE-66ac689e-63
0.303
MAR-TRE-66ac689e-27
0.303
MAR-TRE-9d18ae8c-2
0.303
MAR-TRE-799db12b-39
0.303
MAR-TRE-66ac689e-6
0.303
MAR-TRE-66ac689e-3
0.302