Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1coc2ccccc12)c1cncnc1 |
MW: | 303.03 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 102.16 |
cLogP: | 1.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-92684b97-21
0.478
MAR-TRE-8190bb11-98
0.472
MAR-TRE-9d18ae8c-25
0.466
MAR-TRE-92684b97-34
0.466
MAR-TRE-8190bb11-77
0.459
MAR-TRE-be9ff7d2-13
0.452
MAR-TRE-92684b97-90
0.447
MAR-TRE-799db12b-88
0.447
MAR-TRE-92684b97-40
0.444
MAR-TRE-8190bb11-19
0.443
MAR-TRE-8190bb11-63
0.442
MAR-TRE-4f781e27-30
0.442
MAR-TRE-9d18ae8c-70
0.442
MAR-TRE-e82e6c98-89
0.438
MAR-TRE-4f781e27-17
0.438
MAR-TRE-92684b97-48
0.438
MAR-TRE-e82e6c98-58
0.434
MAR-TRE-66ac689e-50
0.434
MAR-TRE-92684b97-13
0.432
MAR-TRE-8190bb11-78
0.432
MAR-TRE-799db12b-42
0.432
MAR-TRE-4f781e27-72
0.431
MAR-TRE-92684b97-5
0.430
MAR-TRE-c317dd82-100
0.427
MAR-TRE-799db12b-10
0.427
MAR-TRE-92684b97-69
0.427
MAR-TRE-8190bb11-15
0.427
MAR-TRE-4f781e27-61
0.425
MAR-TRE-8190bb11-57
0.425
MAR-TRE-a9136c7b-20
0.425
MAR-TRE-8190bb11-45
0.421
MAR-TRE-799db12b-38
0.421
MAR-TRE-8190bb11-53
0.419
MAR-TRE-a9136c7b-92
0.419
MAR-TRE-92684b97-42
0.418
MAR-TRE-8190bb11-38
0.418
MAR-TRE-4f781e27-63
0.416
MAR-TRE-92684b97-58
0.416
MAR-TRE-66ac689e-63
0.416
MAR-TRE-4f781e27-27
0.415
MAR-TRE-4f781e27-89
0.412
MAR-TRE-799db12b-77
0.410
MAR-TRE-66ac689e-44
0.410
MAR-TRE-8190bb11-84
0.408
MAR-TRE-a9136c7b-84
0.408
MAR-TRE-66ac689e-11
0.407
MAR-TRE-a9136c7b-40
0.405
MAR-TRE-9d18ae8c-79
0.405
MAR-TRE-a9136c7b-90
0.405
MAR-TRE-8190bb11-12
0.403
MAR-TRE-92684b97-33
0.402
MAR-TRE-799db12b-30
0.402
MAR-TRE-e82e6c98-90
0.400
MAR-TRE-a9136c7b-43
0.400
MAR-TRE-9d18ae8c-5
0.398
MAR-TRE-4f781e27-100
0.397
MAR-TRE-66ac689e-13
0.395
MAR-TRE-c317dd82-79
0.393
MAR-TRE-4f781e27-55
0.392
MAR-TRE-92684b97-65
0.392
MAR-TRE-a9136c7b-60
0.392
MAR-TRE-a9136c7b-87
0.392
MAR-TRE-4f781e27-95
0.392
MAR-TRE-be9ff7d2-63
0.392
MAR-TRE-66ac689e-16
0.390
MAR-TRE-66ac689e-39
0.390
MAR-TRE-92684b97-24
0.390
MAR-TRE-a9136c7b-41
0.388
MAR-TRE-4f781e27-62
0.387
MAR-TRE-92684b97-59
0.387
MAR-TRE-4f781e27-66
0.383
MAR-TRE-8190bb11-1
0.382
MAR-TRE-92684b97-9
0.382
MAR-TRE-4f781e27-42
0.382
MAR-TRE-9d18ae8c-47
0.380
MAR-TRE-4f781e27-3
0.378
MAR-TRE-a9136c7b-68
0.378
MAR-TRE-8190bb11-37
0.377
MAR-TRE-e82e6c98-91
0.375
MAR-TRE-9d18ae8c-44
0.373
MAR-TRE-be9ff7d2-4
0.373
MAR-TRE-799db12b-83
0.373
MAR-TRE-8190bb11-44
0.373
MAR-TRE-92684b97-60
0.373
MAR-TRE-be9ff7d2-31
0.373
MAR-TRE-a9136c7b-75
0.373
MAR-TRE-9d18ae8c-45
0.372
MAR-TRE-8190bb11-87
0.370
MAR-TRE-9d18ae8c-56
0.370
MAR-TRE-9d18ae8c-75
0.370
MAR-TRE-66ac689e-78
0.370
MAR-TRE-e82e6c98-63
0.370
MAR-TRE-8190bb11-24
0.370
MAR-TRE-8190bb11-66
0.369
MAR-TRE-8190bb11-29
0.368
MAR-TRE-4f781e27-50
0.368
MAR-TRE-4f781e27-87
0.368
MAR-TRE-4f781e27-99
0.368
MAR-TRE-8190bb11-32
0.368
MAR-TRE-be9ff7d2-58
0.368