Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1ccc(O)c(C(=O)O)c1)c1cncnc1 |
MW: | 323.02 |
Fraction sp3: | 0.0 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 146.55 |
cLogP: | 0.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-4f781e27-87
0.683
MAR-TRE-8190bb11-32
0.683
MAR-TRE-8190bb11-37
0.661
MAR-TRE-799db12b-5
0.631
MAR-TRE-8190bb11-3
0.567
MAR-TRE-e82e6c98-63
0.565
MAR-TRE-a9136c7b-56
0.545
MAR-TRE-9d18ae8c-63
0.545
MAR-TRE-be9ff7d2-23
0.545
MAR-TRE-92684b97-60
0.538
MAR-TRE-a9136c7b-3
0.537
MAR-TRE-4f781e27-62
0.530
MAR-TRE-92684b97-59
0.530
MAR-TRE-a9136c7b-15
0.529
MAR-TRE-66ac689e-16
0.529
MAR-TRE-4f781e27-46
0.523
MAR-TRE-8190bb11-60
0.522
MAR-TRE-8190bb11-1
0.522
MAR-TRE-4f781e27-15
0.522
MAR-TRE-66ac689e-13
0.515
MAR-TRE-9d18ae8c-47
0.514
MAR-TRE-92684b97-30
0.500
MAR-TRE-92684b97-48
0.500
MAR-TRE-92684b97-9
0.500
MAR-TRE-9d18ae8c-100
0.500
MAR-TRE-799db12b-53
0.493
MAR-TRE-66ac689e-6
0.493
MAR-TRE-9d18ae8c-5
0.487
MAR-TRE-8190bb11-94
0.486
MAR-TRE-8190bb11-29
0.485
MAR-TRE-9d18ae8c-44
0.480
MAR-TRE-8190bb11-87
0.479
MAR-TRE-a9136c7b-61
0.479
MAR-TRE-c317dd82-43
0.478
MAR-TRE-799db12b-6
0.474
MAR-TRE-4f781e27-52
0.474
MAR-TRE-a9136c7b-75
0.471
MAR-TRE-92684b97-94
0.467
MAR-TRE-92684b97-34
0.465
MAR-TRE-a9136c7b-40
0.464
MAR-TRE-92684b97-40
0.464
MAR-TRE-799db12b-81
0.461
MAR-TRE-4f781e27-97
0.461
MAR-TRE-92684b97-23
0.461
MAR-TRE-66ac689e-4
0.461
MAR-TRE-8190bb11-12
0.458
MAR-TRE-8190bb11-45
0.458
MAR-TRE-4f781e27-17
0.457
MAR-TRE-e82e6c98-45
0.457
MAR-TRE-4f781e27-10
0.456
MAR-TRE-92684b97-13
0.451
MAR-TRE-a9136c7b-1
0.450
MAR-TRE-a9136c7b-39
0.449
MAR-TRE-9d18ae8c-77
0.449
MAR-TRE-a9136c7b-88
0.449
MAR-TRE-a9136c7b-79
0.443
MAR-TRE-9d18ae8c-82
0.443
MAR-TRE-8190bb11-57
0.443
MAR-TRE-be9ff7d2-58
0.443
MAR-TRE-66ac689e-65
0.442
MAR-TRE-8190bb11-52
0.442
MAR-TRE-c317dd82-1
0.438
MAR-TRE-be9ff7d2-45
0.438
MAR-TRE-8190bb11-53
0.437
MAR-TRE-4f781e27-72
0.429
MAR-TRE-4f781e27-95
0.429
MAR-TRE-92684b97-65
0.427
MAR-TRE-799db12b-10
0.425
MAR-TRE-8190bb11-15
0.425
MAR-TRE-799db12b-56
0.423
MAR-TRE-4f781e27-50
0.423
MAR-TRE-a9136c7b-20
0.423
MAR-TRE-799db12b-1
0.422
MAR-TRE-8190bb11-77
0.419
MAR-TRE-a9136c7b-99
0.418
MAR-TRE-4f781e27-42
0.417
MAR-TRE-92684b97-21
0.414
MAR-TRE-c317dd82-36
0.413
MAR-TRE-8190bb11-78
0.411
MAR-TRE-be9ff7d2-63
0.408
MAR-TRE-9d18ae8c-25
0.405
MAR-TRE-92684b97-69
0.405
MAR-TRE-8190bb11-21
0.405
MAR-TRE-4f781e27-90
0.400
MAR-TRE-799db12b-22
0.397
MAR-TRE-a9136c7b-92
0.397
MAR-TRE-e82e6c98-58
0.395
MAR-TRE-66ac689e-63
0.395
MAR-TRE-8190bb11-55
0.392
MAR-TRE-c317dd82-28
0.392
MAR-TRE-be9ff7d2-13
0.392
MAR-TRE-8190bb11-44
0.389
MAR-TRE-8190bb11-84
0.387
MAR-TRE-9d18ae8c-75
0.385
MAR-TRE-a9136c7b-41
0.385
MAR-TRE-9d18ae8c-56
0.385
MAR-TRE-e82e6c98-89
0.378
MAR-TRE-a9136c7b-43
0.378
MAR-TRE-66ac689e-50
0.377
MAR-TRE-4f781e27-3
0.375