Molecular Properties | |
SMILES: | CC(=O)NCCNS(=O)(=O)c1cccc(NC(=O)c2cncnc2)c1 |
MW: | 363.1 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 130.15 |
cLogP: | 0.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Dye 22
Hetero_hetero
MAR-TRE-799db12b-86
0.649
MAR-TRE-66ac689e-76
0.579
MAR-TRE-66ac689e-25
0.551
MAR-TRE-66ac689e-10
0.543
MAR-TRE-799db12b-25
0.537
MAR-TRE-9d18ae8c-77
0.512
MAR-TRE-9d18ae8c-82
0.488
MAR-TRE-799db12b-34
0.470
MAR-TRE-66ac689e-65
0.470
MAR-TRE-799db12b-39
0.427
MAR-TRE-8190bb11-4
0.424
MAR-TRE-66ac689e-8
0.422
MAR-TRE-799db12b-43
0.419
MAR-TRE-799db12b-20
0.415
MAR-TRE-66ac689e-72
0.402
MAR-TRE-c317dd82-56
0.400
MAR-TRE-92684b97-55
0.388
MAR-TRE-4f781e27-12
0.388
MAR-TRE-4f781e27-47
0.386
MAR-TRE-799db12b-93
0.386
MAR-TRE-66ac689e-30
0.386
MAR-TRE-a9136c7b-42
0.379
MAR-TRE-66ac689e-31
0.379
MAR-TRE-9d18ae8c-11
0.378
MAR-TRE-9d18ae8c-47
0.376
MAR-TRE-66ac689e-27
0.376
MAR-TRE-9d18ae8c-2
0.376
MAR-TRE-799db12b-2
0.375
MAR-TRE-9d18ae8c-18
0.375
MAR-TRE-4f781e27-2
0.371
MAR-TRE-8190bb11-87
0.368
MAR-TRE-799db12b-40
0.367
MAR-TRE-9d18ae8c-7
0.367
MAR-TRE-9d18ae8c-9
0.367
MAR-TRE-9d18ae8c-43
0.363
MAR-TRE-92684b97-9
0.361
MAR-TRE-e82e6c98-58
0.360
MAR-TRE-66ac689e-37
0.360
MAR-TRE-799db12b-24
0.360
MAR-TRE-4f781e27-43
0.357
MAR-TRE-9d18ae8c-53
0.356
MAR-TRE-a9136c7b-57
0.356
MAR-TRE-9d18ae8c-52
0.356
MAR-TRE-9d18ae8c-10
0.355
MAR-TRE-e82e6c98-80
0.354
RAL-MED-2de63afb-12
0.353
MAR-TRE-8190bb11-69
0.353
MAR-TRE-799db12b-16
0.352
MAR-TRE-799db12b-27
0.352
MAR-TRE-92684b97-25
0.352
MAR-TRE-66ac689e-73
0.345
MAR-TRE-9d18ae8c-54
0.344
MAR-TRE-e82e6c98-38
0.344
MAR-TRE-799db12b-33
0.344
MAR-TRE-799db12b-3
0.344
MAR-TRE-92684b97-89
0.341
MAR-TRE-9d18ae8c-30
0.341
MAR-TRE-a9136c7b-9
0.340
MAR-TRE-e82e6c98-74
0.337
MAR-TRE-c317dd82-91
0.337
MAR-TRE-799db12b-38
0.333
MAR-TRE-9d18ae8c-15
0.333
MAR-TRE-799db12b-51
0.333
MAR-TRE-4f781e27-49
0.333
MAR-TRE-66ac689e-88
0.333
MAR-TRE-799db12b-97
0.330
MAR-TRE-92684b97-6
0.330
MAR-TRE-799db12b-26
0.330
MAR-TRE-799db12b-73
0.330
MAR-TRE-66ac689e-22
0.330
MAR-TRE-4f781e27-1
0.326
MAR-TRE-9d18ae8c-49
0.326
MAR-TRE-c317dd82-16
0.326
MAR-TRE-c317dd82-59
0.326
MAR-TRE-9d18ae8c-44
0.326
MAR-TRE-66ac689e-13
0.326
MAR-TRE-8190bb11-51
0.326
MAR-TRE-92684b97-13
0.326
MAR-TRE-799db12b-74
0.326
MAR-TRE-8190bb11-13
0.325
MAR-TRE-4f781e27-67
0.323
MAR-TRE-9d18ae8c-1
0.323
MAR-TRE-4f781e27-80
0.322
MAR-TRE-a9136c7b-61
0.322
MAR-TRE-66ac689e-16
0.322
MAR-TRE-92684b97-60
0.321
MAR-TRE-66ac689e-98
0.318
MAR-TRE-c317dd82-63
0.318
MAR-TRE-92684b97-59
0.318
MAR-TRE-4f781e27-62
0.318
MAR-TRE-8190bb11-24
0.317
MAR-TRE-9d18ae8c-62
0.317
MAR-TRE-a9136c7b-73
0.316
MAR-TRE-799db12b-14
0.316
MAR-TRE-9d18ae8c-34
0.316
MAR-TRE-a9136c7b-64
0.315
MAR-TRE-799db12b-48
0.315
MAR-TRE-8190bb11-94
0.315
MAR-TRE-9d18ae8c-4
0.315
MAR-TRE-9d18ae8c-83
0.315