Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)C1CCOc2ccccc21)c1cncnc1 |
MW: | 319.06 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 98.25 |
cLogP: | 1.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-9d18ae8c-79
0.494
MAR-TRE-799db12b-88
0.407
MAR-TRE-be9ff7d2-88
0.395
MAR-TRE-be9ff7d2-72
0.392
MAR-TRE-92684b97-23
0.388
MAR-TRE-c317dd82-100
0.388
MAR-TRE-c317dd82-98
0.387
MAR-TRE-799db12b-53
0.378
MAR-TRE-4f781e27-54
0.366
MAR-TRE-66ac689e-90
0.365
MAR-TRE-92684b97-21
0.359
MAR-TRE-4f781e27-64
0.358
MAR-TRE-c317dd82-87
0.358
MAR-TRE-66ac689e-55
0.357
MAR-TRE-9d18ae8c-70
0.353
MAR-TRE-9d18ae8c-73
0.350
MAR-TRE-8190bb11-57
0.350
MAR-TRE-a9136c7b-20
0.350
MAR-TRE-c317dd82-73
0.346
MAR-TRE-4f781e27-89
0.345
ANT-OPE-3d7cb11b-1
0.345
ROB-UNI-afd54964-1
0.344
MAR-TRE-4f781e27-41
0.342
MAR-TRE-c317dd82-43
0.342
MAR-TRE-66ac689e-13
0.341
MAR-TRE-92684b97-43
0.341
MAR-TRE-9d18ae8c-44
0.341
MAT-POS-162a9720-6
0.338
MAR-TRE-66ac689e-39
0.337
MAR-TRE-9d18ae8c-25
0.337
MAR-TRE-92684b97-24
0.337
EDJ-MED-0e996074-1
0.337
EDJ-MED-2c295496-1
0.337
RAL-THA-05e671eb-1
0.337
WIL-UCB-7ba4ac3a-3
0.337
MAR-TRE-66ac689e-67
0.333
MAR-TRE-8190bb11-56
0.333
MAR-TRE-8190bb11-65
0.333
MAR-TRE-799db12b-64
0.330
MAR-TRE-a9136c7b-68
0.330
MAR-TRE-799db12b-59
0.330
MAR-TRE-a9136c7b-43
0.329
MAR-TRE-4f781e27-10
0.326
MAR-TRE-9d18ae8c-32
0.326
MAR-TRE-a9136c7b-87
0.326
MAR-TRE-66ac689e-43
0.326
EDG-MED-fe7487f8-14
0.323
ANT-OPE-3d7cb11b-4
0.323
MAR-TRE-92684b97-33
0.322
MAR-TRE-a9136c7b-99
0.322
MAR-TRE-8190bb11-63
0.322
MAR-TRE-92684b97-29
0.322
MAR-TRE-66ac689e-96
0.322
MAR-TRE-92684b97-61
0.322
MAR-TRE-8190bb11-15
0.321
MAR-TRE-be9ff7d2-63
0.321
MAR-TRE-be9ff7d2-74
0.321
NAU-LAT-8502cac5-9
0.319
ANT-OPE-66a89c65-1
0.319
MAR-TRE-799db12b-22
0.318
MAR-TRE-e82e6c98-90
0.318
MAR-TRE-799db12b-38
0.318
MAR-TRE-4f781e27-90
0.318
MAR-TRE-8190bb11-41
0.318
MAR-TRE-4f781e27-62
0.317
MAR-TRE-92684b97-40
0.317
MAR-TRE-799db12b-65
0.315
MAR-TRE-c317dd82-79
0.315
MAR-TRE-92684b97-94
0.315
MAK-UNK-752736de-5
0.315
MAR-TRE-4f781e27-3
0.315
MAR-TRE-66ac689e-2
0.314
MAR-TRE-66ac689e-50
0.314
MAR-TRE-4f781e27-63
0.314
MAR-TRE-8190bb11-1
0.313
MAR-TRE-8190bb11-53
0.313
MAR-TRE-4f781e27-42
0.313
MAR-TRE-92684b97-9
0.313
MAR-TRE-e82e6c98-89
0.313
MAR-TRE-4f781e27-33
0.313
MAR-TRE-4f781e27-17
0.313
RAL-THA-9041a04d-3
0.313
MAR-TRE-e82e6c98-30
0.312
MAR-TRE-799db12b-45
0.312
ANT-OPE-66a89c65-2
0.312
MAR-TRE-be9ff7d2-4
0.311
MAR-TRE-9d18ae8c-36
0.311
MAR-TRE-8190bb11-19
0.311
MAR-TRE-8190bb11-21
0.311
MAR-TRE-4f781e27-61
0.311
MAR-TRE-92684b97-65
0.310
MAR-TRE-4f781e27-55
0.310
MAR-TRE-92684b97-38
0.310
MAR-TRE-8190bb11-37
0.310
MAR-TRE-be9ff7d2-69
0.310
MAR-TRE-9d18ae8c-39
0.308
MAR-TRE-a9136c7b-90
0.307
MAR-TRE-799db12b-89
0.307
MAR-TRE-4f781e27-30
0.307
MAR-TRE-a9136c7b-41
0.307