Molecular Properties | |
SMILES: | Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cncnc1 |
MW: | 362.1 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 101.49 |
cLogP: | 1.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
Hetero_hetero
MAR-TRE-4f781e27-67
0.694
MAR-TRE-a9136c7b-65
0.681
AHN-SAT-de2502ba-9
0.606
MAR-TRE-799db12b-34
0.592
MAR-TRE-a9136c7b-38
0.575
MAR-TRE-a9136c7b-16
0.541
MAR-TRE-c317dd82-22
0.466
KEI-TRE-d5e2018a-13
0.460
AHN-SAT-de2502ba-10
0.430
AHN-SAT-de2502ba-16
0.430
MAR-TRE-a9136c7b-17
0.419
KEI-TRE-d5e2018a-22
0.414
MAR-TRE-799db12b-64
0.409
MAR-TRE-8190bb11-7
0.405
KEI-TRE-d5e2018a-32
0.400
MAR-TRE-3e4e6814-34
0.400
KEI-TRE-d5e2018a-53
0.398
MAR-TRE-a9136c7b-64
0.395
KEI-TRE-d5e2018a-10
0.393
KEI-TRE-d5e2018a-61
0.385
KEI-TRE-d5e2018a-9
0.380
MAR-TRE-c317dd82-96
0.380
AHN-SAT-de2502ba-4
0.373
MAR-TRE-6a44bbf2-100
0.373
MAR-TRE-66ac689e-5
0.372
MAR-TRE-2fd8122f-15
0.363
KEI-TRE-d5e2018a-52
0.363
MAR-TRE-c317dd82-23
0.362
MAR-TRE-be9ff7d2-16
0.361
MAR-TRE-92684b97-13
0.361
MAR-TRE-c317dd82-7
0.360
MAR-TRE-67513f76-51
0.359
MAR-TRE-e82e6c98-74
0.358
MAK-UNK-69bf97dd-5
0.358
MAR-TRE-66ac689e-30
0.357
SAD-SAT-f0a2747f-5
0.357
MAR-TRE-fd17a9b8-62
0.356
MAR-TRE-6a44bbf2-83
0.353
AHN-SAT-de2502ba-13
0.353
MAR-TRE-c317dd82-13
0.352
MAR-TRE-be9ff7d2-56
0.351
MAR-TRE-c317dd82-73
0.349
MAR-TRE-2fd8122f-31
0.348
MAR-TRE-c317dd82-2
0.348
BEN-DND-93268d01-10
0.341
MAR-TRE-e82e6c98-52
0.341
MAR-TRE-c317dd82-90
0.341
MAR-TRE-be9ff7d2-8
0.341
MAR-TRE-92684b97-40
0.337
MAR-TRE-92684b97-59
0.337
MAR-TRE-e82e6c98-55
0.337
MAR-TRE-799db12b-20
0.337
MAR-TRE-66ac689e-61
0.337
MAR-TRE-c317dd82-45
0.337
MAR-TRE-2fd8122f-55
0.333
MAR-TRE-66ac689e-6
0.333
MAR-TRE-c317dd82-27
0.330
TAT-ENA-80bfd3e5-27
0.330
MAR-TRE-a9136c7b-9
0.330
MAR-TRE-6a44bbf2-63
0.330
MAR-TRE-be9ff7d2-42
0.329
MAR-TRE-c317dd82-18
0.329
MAR-TRE-3e4e6814-92
0.326
MAR-TRE-c317dd82-69
0.326
MAR-TRE-a9136c7b-61
0.326
MAR-TRE-92684b97-34
0.326
MAR-TRE-66ac689e-16
0.326
MAR-TRE-4f781e27-95
0.325
MAR-TRE-c317dd82-78
0.323
MAK-UNK-7264f48c-5
0.323
MAR-TRE-be9ff7d2-54
0.322
MAR-TRE-c317dd82-81
0.322
MAR-TRE-66ac689e-40
0.322
MAR-TRE-9d18ae8c-100
0.322
MAR-TRE-e82e6c98-66
0.322
MAR-TRE-4f781e27-15
0.322
MAR-TRE-799db12b-63
0.322
MAR-TRE-8190bb11-32
0.321
MAR-TRE-8190bb11-24
0.321
MAR-TRE-799db12b-53
0.318
MAR-TRE-9d18ae8c-63
0.318
MAR-TRE-8190bb11-5
0.317
MAR-TRE-799db12b-6
0.316
MAR-TRE-a9136c7b-12
0.315
MAR-TRE-66ac689e-47
0.315
MAR-TRE-8190bb11-39
0.315
MAR-TRE-a9136c7b-34
0.315
MAR-TRE-8190bb11-20
0.315
MAR-TRE-c317dd82-10
0.314
MAR-TRE-66ac689e-13
0.314
MAR-TRE-92684b97-11
0.314
MAR-TRE-799db12b-74
0.314
MAR-TRE-8190bb11-51
0.314
MAR-TRE-a9136c7b-11
0.313
MAR-TRE-92684b97-25
0.312
MAR-TRE-799db12b-25
0.312
MAR-TRE-6a44bbf2-42
0.311
MAR-TRE-92684b97-69
0.310
MAR-TRE-e82e6c98-1
0.310
NAU-LAT-3f5f3993-5
0.310