Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1cncnc1 |
MW: | 321.04 |
Fraction sp3: | 0.15 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 107.48 |
cLogP: | 0.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-92684b97-23
0.597
MAR-TRE-4f781e27-10
0.545
MAR-TRE-c317dd82-100
0.543
MAR-TRE-8190bb11-32
0.522
MAR-TRE-4f781e27-62
0.522
MAR-TRE-e82e6c98-63
0.507
MAR-TRE-92684b97-60
0.507
MAR-TRE-92684b97-59
0.500
MAR-TRE-a9136c7b-88
0.500
MAR-TRE-4f781e27-87
0.500
MAR-TRE-a9136c7b-61
0.493
MAR-TRE-9d18ae8c-100
0.493
MAR-TRE-be9ff7d2-23
0.493
MAR-TRE-8190bb11-60
0.493
MAR-TRE-8190bb11-1
0.493
MAR-TRE-66ac689e-32
0.493
MAR-TRE-66ac689e-6
0.486
MAR-TRE-8190bb11-37
0.486
MAR-TRE-66ac689e-13
0.486
MAR-TRE-799db12b-88
0.480
MAR-TRE-66ac689e-16
0.479
MAR-TRE-66ac689e-4
0.474
MAR-TRE-92684b97-9
0.472
MAR-TRE-799db12b-22
0.468
MAR-TRE-799db12b-5
0.467
MAR-TRE-92684b97-94
0.462
MAR-TRE-4f781e27-97
0.456
MAR-TRE-92684b97-30
0.456
MAR-TRE-4f781e27-46
0.451
MAR-TRE-4f781e27-52
0.450
MAR-TRE-9d18ae8c-47
0.447
MAR-TRE-8190bb11-94
0.443
MAR-TRE-9d18ae8c-44
0.438
MAR-TRE-799db12b-81
0.438
MAR-TRE-8190bb11-87
0.436
MAR-TRE-799db12b-1
0.435
MAR-TRE-8190bb11-3
0.434
MAR-TRE-a9136c7b-1
0.429
MAR-TRE-4f781e27-3
0.425
MAR-TRE-a9136c7b-39
0.425
MAR-TRE-a9136c7b-79
0.422
MAR-TRE-66ac689e-65
0.420
MAR-TRE-8190bb11-29
0.419
MAR-TRE-c317dd82-1
0.416
MAR-TRE-4f781e27-15
0.416
MAR-TRE-a9136c7b-99
0.415
MAR-TRE-9d18ae8c-63
0.413
MAR-TRE-a9136c7b-56
0.413
MAR-TRE-4f781e27-17
0.413
MAR-TRE-e82e6c98-89
0.413
MAR-TRE-a9136c7b-37
0.412
MAR-TRE-9d18ae8c-77
0.410
MAR-TRE-a9136c7b-3
0.408
MAR-TRE-92684b97-13
0.408
MAR-TRE-4f781e27-95
0.405
MAR-TRE-92684b97-65
0.405
MAR-TRE-9d18ae8c-82
0.405
MAR-TRE-a9136c7b-15
0.403
MAR-TRE-be9ff7d2-4
0.402
MAR-TRE-a9136c7b-21
0.398
MAR-TRE-4f781e27-90
0.397
MAR-TRE-be9ff7d2-45
0.397
MAR-TRE-8190bb11-78
0.390
MAR-TRE-8190bb11-44
0.387
MAR-TRE-92684b97-34
0.385
MAR-TRE-799db12b-6
0.384
MAR-TRE-c317dd82-90
0.383
MAR-TRE-8190bb11-57
0.382
MAR-TRE-be9ff7d2-58
0.382
MAR-TRE-92684b97-40
0.382
MAR-TRE-8190bb11-45
0.380
MAR-TRE-8190bb11-77
0.380
MAR-TRE-e82e6c98-90
0.378
MAR-TRE-92684b97-45
0.378
MAR-TRE-92684b97-48
0.377
MAR-TRE-4f781e27-42
0.377
MAR-TRE-a9136c7b-92
0.377
MAR-TRE-8190bb11-53
0.377
MAR-TRE-9d18ae8c-5
0.376
MAR-TRE-c317dd82-36
0.375
MAR-TRE-a9136c7b-74
0.373
MAR-TRE-a9136c7b-68
0.373
MAR-TRE-c317dd82-43
0.373
MAR-TRE-92684b97-21
0.373
MAR-TRE-c317dd82-79
0.372
MAR-TRE-be9ff7d2-13
0.372
MAR-TRE-c317dd82-28
0.372
MAR-TRE-a9136c7b-60
0.370
MAR-TRE-66ac689e-17
0.370
MAR-TRE-a9136c7b-71
0.369
MAR-TRE-c317dd82-84
0.369
MAR-TRE-a9136c7b-25
0.369
MAR-TRE-8190bb11-21
0.369
MAR-TRE-be9ff7d2-63
0.368
MAR-TRE-be9ff7d2-31
0.368
MAR-TRE-a9136c7b-75
0.368
MAR-TRE-4f781e27-72
0.368
MAR-TRE-799db12b-10
0.367
MAR-TRE-8190bb11-84
0.367
MAR-TRE-8190bb11-15
0.367