Molecular Properties | |
SMILES: | CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cncnc2)s1 |
MW: | 354.08 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 92.26 |
cLogP: | 1.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-a9136c7b-54
0.758
MAR-TRE-a9136c7b-17
0.539
MAR-TRE-799db12b-38
0.486
MAR-TRE-4f781e27-99
0.432
MAR-TRE-8190bb11-13
0.425
MAR-TRE-8190bb11-24
0.417
MAR-TRE-799db12b-35
0.413
MAR-TRE-92684b97-74
0.400
MAR-TRE-e82e6c98-68
0.392
MAR-TRE-4f781e27-42
0.390
MAR-TRE-92684b97-78
0.389
MAR-TRE-92684b97-11
0.385
MAR-TRE-be9ff7d2-67
0.380
MAR-TRE-be9ff7d2-17
0.380
MAR-TRE-66ac689e-12
0.380
MAR-TRE-8190bb11-85
0.378
MAR-TRE-9d18ae8c-89
0.377
MAR-TRE-799db12b-7
0.373
MAR-TRE-8190bb11-50
0.372
MAR-TRE-66ac689e-73
0.370
MAR-TRE-8190bb11-42
0.364
MAR-TRE-8190bb11-73
0.361
MAR-TRE-8190bb11-81
0.358
MAR-TRE-66ac689e-26
0.358
MAR-TRE-8190bb11-82
0.358
MAR-TRE-e82e6c98-5
0.357
MAR-TRE-c317dd82-67
0.356
MAR-TRE-66ac689e-59
0.354
MAR-TRE-be9ff7d2-1
0.354
MAR-TRE-66ac689e-37
0.354
MAR-TRE-be9ff7d2-60
0.353
MAR-TRE-8190bb11-34
0.353
MAR-TRE-a9136c7b-73
0.352
MAR-TRE-be9ff7d2-90
0.351
MAR-TRE-be9ff7d2-89
0.349
MAR-TRE-e82e6c98-60
0.349
MAR-TRE-e82e6c98-91
0.349
MAR-TRE-92684b97-81
0.349
MAR-TRE-9d18ae8c-53
0.349
MAR-TRE-a9136c7b-80
0.349
MAR-TRE-c317dd82-74
0.349
MAR-TRE-be9ff7d2-11
0.346
MAR-TRE-e82e6c98-16
0.346
MAR-TRE-e82e6c98-93
0.345
MAR-TRE-8190bb11-88
0.345
MAR-TRE-799db12b-27
0.345
MAR-TRE-a9136c7b-37
0.344
MAR-TRE-e82e6c98-23
0.342
MAR-TRE-e82e6c98-12
0.341
MAR-TRE-92684b97-54
0.341
MAR-TRE-e82e6c98-64
0.341
MAR-TRE-e82e6c98-95
0.341
MAR-TRE-799db12b-52
0.341
MAR-TRE-799db12b-11
0.341
MAR-TRE-8190bb11-31
0.341
MAR-TRE-4f781e27-100
0.337
MAR-TRE-a9136c7b-100
0.337
MAR-TRE-799db12b-2
0.337
MAR-TRE-799db12b-24
0.337
MAR-TRE-799db12b-59
0.337
MAR-TRE-92684b97-64
0.337
MAR-TRE-799db12b-64
0.337
MAR-TRE-c317dd82-11
0.333
MAR-TRE-c317dd82-55
0.333
MAR-TRE-e82e6c98-97
0.333
MAR-TRE-a9136c7b-30
0.333
MAR-TRE-66ac689e-69
0.333
MAR-TRE-66ac689e-47
0.333
MAR-TRE-e82e6c98-54
0.333
MAR-TRE-799db12b-44
0.333
MAR-TRE-66ac689e-20
0.333
MAR-TRE-8190bb11-40
0.333
MAR-TRE-9d18ae8c-36
0.333
MAR-TRE-9d18ae8c-30
0.333
MAR-TRE-be9ff7d2-99
0.330
MAR-TRE-66ac689e-21
0.329
MAR-TRE-799db12b-16
0.329
MAR-TRE-799db12b-89
0.329
MAR-TRE-92684b97-82
0.329
MAR-TRE-9d18ae8c-6
0.329
MAR-TRE-4f781e27-28
0.329
MAR-TRE-be9ff7d2-98
0.329
MAR-TRE-e82e6c98-57
0.329
MAR-TRE-4f781e27-72
0.329
MAR-TRE-8190bb11-8
0.326
MAR-TRE-9d18ae8c-81
0.326
MAR-TRE-92684b97-96
0.326
MAR-TRE-c317dd82-81
0.326
MAR-TRE-be9ff7d2-54
0.326
MAR-TRE-66ac689e-29
0.326
MAR-TRE-4f781e27-88
0.326
MAR-TRE-be9ff7d2-34
0.325
MAR-TRE-9d18ae8c-74
0.325
MAR-TRE-92684b97-26
0.325
MAR-TRE-799db12b-65
0.322
MAR-TRE-c317dd82-83
0.322
MAR-TRE-799db12b-98
0.322
MAR-TRE-9d18ae8c-54
0.322
MAR-TRE-be9ff7d2-82
0.322
MAR-TRE-799db12b-3
0.322