Molecular Properties | |
SMILES: | O=C(O)Cn1c(=O)oc2cc(S(=O)(=O)NC(=O)c3cncnc3)ccc21 |
MW: | 378.03 |
Fraction sp3: | 0.07 |
HBA: | 9 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 161.46 |
cLogP: | -0.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-a9136c7b-61
0.506
MAR-TRE-a9136c7b-79
0.488
MAR-TRE-92684b97-59
0.474
MAR-TRE-4f781e27-62
0.456
MAR-TRE-4f781e27-87
0.456
MAR-TRE-8190bb11-32
0.456
MAR-TRE-66ac689e-4
0.453
MAR-TRE-66ac689e-32
0.450
MAR-TRE-8190bb11-1
0.450
MAR-TRE-9d18ae8c-47
0.446
MAR-TRE-799db12b-5
0.446
MAR-TRE-66ac689e-6
0.446
MAR-TRE-8190bb11-37
0.444
MAR-TRE-92684b97-60
0.443
MAR-TRE-66ac689e-16
0.439
MAR-TRE-be9ff7d2-23
0.432
MAR-TRE-8190bb11-60
0.432
MAR-TRE-799db12b-53
0.429
MAR-TRE-66ac689e-13
0.427
MAR-TRE-92684b97-94
0.425
MAR-TRE-e82e6c98-63
0.423
MAR-TRE-799db12b-81
0.420
MAR-TRE-4f781e27-97
0.420
MAR-TRE-799db12b-1
0.419
MAR-TRE-8190bb11-87
0.419
MAR-TRE-799db12b-6
0.418
MAR-TRE-4f781e27-10
0.418
MAR-TRE-9d18ae8c-100
0.417
MAR-TRE-be9ff7d2-45
0.417
MAR-TRE-92684b97-9
0.415
MAR-TRE-799db12b-22
0.414
MAR-TRE-4f781e27-46
0.412
MAR-TRE-a9136c7b-88
0.411
MAR-TRE-8190bb11-94
0.409
MAR-TRE-92684b97-23
0.404
MAR-TRE-92684b97-30
0.404
MAR-TRE-66ac689e-65
0.404
MAR-TRE-8190bb11-29
0.402
MAR-TRE-8190bb11-3
0.400
MAR-TRE-4f781e27-52
0.400
MAR-TRE-9d18ae8c-63
0.398
MAR-TRE-4f781e27-42
0.398
MAR-TRE-a9136c7b-56
0.398
MAR-TRE-c317dd82-36
0.395
MAR-TRE-a9136c7b-3
0.393
MAR-TRE-92684b97-34
0.388
MAR-TRE-c317dd82-1
0.384
MAR-TRE-4f781e27-15
0.384
MAR-TRE-92684b97-13
0.376
MAR-TRE-8190bb11-21
0.374
MAR-TRE-9d18ae8c-44
0.374
MAR-TRE-4f781e27-72
0.373
MAR-TRE-a9136c7b-39
0.373
MAR-TRE-be9ff7d2-63
0.373
MAR-TRE-a9136c7b-15
0.372
MAR-TRE-a9136c7b-99
0.370
MAR-TRE-92684b97-40
0.369
MAR-TRE-8190bb11-45
0.368
MAR-TRE-9d18ae8c-5
0.366
MAR-TRE-9d18ae8c-77
0.366
MAR-TRE-92684b97-48
0.365
MAR-TRE-4f781e27-17
0.365
MAR-TRE-8190bb11-53
0.365
MAR-TRE-4f781e27-3
0.363
MAR-TRE-9d18ae8c-82
0.362
MAR-TRE-be9ff7d2-13
0.360
MAR-TRE-8190bb11-78
0.360
MAR-TRE-92684b97-65
0.360
MAR-TRE-4f781e27-95
0.357
MAR-TRE-a9136c7b-41
0.356
MAR-TRE-8190bb11-57
0.353
MAR-TRE-4f781e27-50
0.353
MAR-TRE-be9ff7d2-58
0.353
MAR-TRE-799db12b-38
0.352
MAR-TRE-8190bb11-12
0.352
MAR-TRE-4f781e27-90
0.352
MAR-TRE-a9136c7b-92
0.349
MAR-TRE-e82e6c98-45
0.349
MAR-TRE-92684b97-21
0.345
MAR-TRE-a9136c7b-87
0.344
MAR-TRE-be9ff7d2-31
0.341
MAR-TRE-a9136c7b-75
0.341
MAR-TRE-8190bb11-44
0.341
MAR-TRE-92684b97-69
0.341
MAR-TRE-9d18ae8c-25
0.341
MAR-TRE-9d18ae8c-75
0.341
MAR-TRE-a9136c7b-20
0.337
MAR-TRE-a9136c7b-40
0.337
MAR-TRE-8190bb11-77
0.337
MAR-TRE-4f781e27-54
0.337
MAR-TRE-8190bb11-38
0.337
MAR-TRE-e82e6c98-90
0.337
MAR-TRE-e82e6c98-58
0.333
MAR-TRE-e82e6c98-89
0.333
MAR-TRE-a9136c7b-25
0.330
MAR-TRE-4f781e27-61
0.330
MAR-TRE-be9ff7d2-4
0.330
MAR-TRE-8190bb11-52
0.330
MAR-TRE-66ac689e-11
0.330
MAR-TRE-92684b97-90
0.330