Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)c1cncnc1 |
MW: | 340.99 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 126.32 |
cLogP: | 0.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
MAR-TRE-4f781e27-87
0.695
MAR-TRE-66ac689e-32
0.683
MAR-TRE-8190bb11-37
0.672
MAR-TRE-66ac689e-16
0.661
MAR-TRE-799db12b-5
0.641
MAR-TRE-8190bb11-3
0.625
MAR-TRE-a9136c7b-3
0.619
MAR-TRE-799db12b-56
0.618
MAR-TRE-a9136c7b-15
0.609
MAR-TRE-8190bb11-60
0.603
MAR-TRE-e82e6c98-63
0.574
MAR-TRE-be9ff7d2-23
0.554
MAR-TRE-9d18ae8c-63
0.554
MAR-TRE-a9136c7b-56
0.554
MAR-TRE-92684b97-60
0.547
MAR-TRE-a9136c7b-40
0.538
MAR-TRE-4f781e27-62
0.538
MAR-TRE-92684b97-59
0.538
MAR-TRE-4f781e27-46
0.531
MAR-TRE-8190bb11-53
0.530
MAR-TRE-8190bb11-1
0.530
MAR-TRE-4f781e27-15
0.529
MAR-TRE-a9136c7b-75
0.523
MAR-TRE-66ac689e-13
0.522
MAR-TRE-799db12b-53
0.522
MAR-TRE-e82e6c98-45
0.507
MAR-TRE-92684b97-9
0.507
MAR-TRE-9d18ae8c-100
0.507
MAR-TRE-9d18ae8c-82
0.507
MAR-TRE-799db12b-6
0.500
MAR-TRE-9d18ae8c-47
0.500
MAR-TRE-66ac689e-6
0.500
MAR-TRE-8190bb11-94
0.493
MAR-TRE-8190bb11-29
0.493
MAR-TRE-92684b97-23
0.486
MAR-TRE-92684b97-30
0.486
MAR-TRE-a9136c7b-61
0.486
MAR-TRE-92684b97-48
0.485
MAR-TRE-4f781e27-10
0.481
MAR-TRE-a9136c7b-88
0.474
MAR-TRE-9d18ae8c-5
0.474
MAR-TRE-9d18ae8c-77
0.474
MAR-TRE-92684b97-94
0.473
MAR-TRE-92684b97-34
0.471
MAR-TRE-8190bb11-84
0.471
MAR-TRE-799db12b-81
0.467
MAR-TRE-66ac689e-4
0.467
MAR-TRE-66ac689e-65
0.467
MAR-TRE-4f781e27-97
0.467
MAR-TRE-9d18ae8c-44
0.467
MAR-TRE-8190bb11-87
0.466
MAR-TRE-8190bb11-45
0.465
MAR-TRE-8190bb11-12
0.465
MAR-TRE-4f781e27-17
0.464
MAR-TRE-c317dd82-43
0.463
MAR-TRE-4f781e27-52
0.461
MAR-TRE-a9136c7b-39
0.456
MAR-TRE-a9136c7b-1
0.456
MAR-TRE-be9ff7d2-58
0.449
MAR-TRE-8190bb11-57
0.449
MAR-TRE-92684b97-40
0.449
MAR-TRE-a9136c7b-79
0.449
MAR-TRE-8190bb11-52
0.447
MAR-TRE-be9ff7d2-45
0.444
MAR-TRE-c317dd82-1
0.444
MAR-TRE-66ac689e-63
0.438
MAR-TRE-92684b97-13
0.437
MAR-TRE-8190bb11-55
0.437
MAR-TRE-4f781e27-72
0.435
MAR-TRE-92684b97-65
0.432
MAR-TRE-c317dd82-100
0.431
MAR-TRE-a9136c7b-20
0.429
MAR-TRE-4f781e27-50
0.429
MAR-TRE-8190bb11-21
0.429
MAR-TRE-799db12b-1
0.427
MAR-TRE-8190bb11-77
0.425
MAR-TRE-a9136c7b-99
0.423
MAR-TRE-4f781e27-42
0.423
MAR-TRE-92684b97-21
0.420
MAR-TRE-c317dd82-36
0.419
MAR-TRE-8190bb11-78
0.417
MAR-TRE-4f781e27-95
0.414
MAR-TRE-be9ff7d2-63
0.414
MAR-TRE-8190bb11-15
0.411
MAR-TRE-799db12b-10
0.411
MAR-TRE-9d18ae8c-25
0.411
MAR-TRE-be9ff7d2-4
0.410
MAR-TRE-a9136c7b-25
0.410
MAR-TRE-a9136c7b-90
0.408
MAR-TRE-4f781e27-90
0.405
MAR-TRE-a9136c7b-92
0.403
MAR-TRE-e82e6c98-89
0.403
MAR-TRE-799db12b-22
0.403
MAR-TRE-799db12b-42
0.400
MAR-TRE-66ac689e-50
0.400
MAR-TRE-a9136c7b-68
0.397
MAR-TRE-4f781e27-3
0.397
MAR-TRE-c317dd82-28
0.397
MAR-TRE-8190bb11-44
0.394
MAR-TRE-799db12b-83
0.392