Molecular Properties | |
SMILES: | COC(=O)c1ccc(O)cc1S(=O)(=O)NC(=O)c1cncnc1 |
MW: | 337.04 |
Fraction sp3: | 0.08 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 135.55 |
cLogP: | 0.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
Hetero_hetero
MAR-TRE-66ac689e-63
0.688
MAR-TRE-8190bb11-78
0.522
MAR-TRE-a9136c7b-92
0.507
MAR-TRE-8190bb11-77
0.507
MAR-TRE-4f781e27-17
0.486
MAR-TRE-92684b97-48
0.486
MAR-TRE-e82e6c98-58
0.479
MAR-TRE-4f781e27-72
0.478
MAR-TRE-799db12b-77
0.473
MAR-TRE-92684b97-69
0.472
MAR-TRE-92684b97-34
0.472
MAR-TRE-92684b97-40
0.471
MAR-TRE-92684b97-21
0.464
MAR-TRE-8190bb11-38
0.461
MAR-TRE-799db12b-5
0.459
MAR-TRE-92684b97-13
0.458
MAR-TRE-9d18ae8c-25
0.452
MAR-TRE-8190bb11-84
0.452
MAR-TRE-a9136c7b-40
0.451
MAR-TRE-8190bb11-57
0.451
MAR-TRE-8190bb11-45
0.446
MAR-TRE-8190bb11-12
0.446
MAR-TRE-8190bb11-53
0.444
MAR-TRE-4f781e27-63
0.440
MAR-TRE-be9ff7d2-13
0.438
MAR-TRE-4f781e27-95
0.437
MAR-TRE-a9136c7b-20
0.431
MAR-TRE-4f781e27-87
0.431
MAR-TRE-66ac689e-11
0.430
MAR-TRE-8190bb11-87
0.429
MAR-TRE-4f781e27-54
0.427
MAR-TRE-92684b97-9
0.425
MAR-TRE-66ac689e-32
0.425
MAR-TRE-4f781e27-46
0.423
MAR-TRE-66ac689e-50
0.421
MAR-TRE-8190bb11-37
0.419
MAR-TRE-66ac689e-13
0.419
MAR-TRE-92684b97-60
0.417
MAR-TRE-a9136c7b-75
0.417
MAR-TRE-66ac689e-44
0.416
MAR-TRE-a9136c7b-60
0.416
MAR-TRE-799db12b-88
0.416
MAR-TRE-92684b97-90
0.416
MAR-TRE-e82e6c98-63
0.414
MAR-TRE-c317dd82-100
0.413
MAR-TRE-66ac689e-16
0.413
MAR-TRE-8190bb11-15
0.413
MAR-TRE-8190bb11-19
0.412
MAR-TRE-4f781e27-61
0.412
MAR-TRE-92684b97-59
0.411
MAR-TRE-8190bb11-32
0.411
MAR-TRE-4f781e27-62
0.411
MAR-TRE-a9136c7b-90
0.410
MAR-TRE-4f781e27-30
0.410
MAR-TRE-9d18ae8c-70
0.410
MAR-TRE-e82e6c98-89
0.405
MAR-TRE-9d18ae8c-63
0.405
MAR-TRE-a9136c7b-56
0.405
MAR-TRE-4f781e27-66
0.405
MAR-TRE-c317dd82-43
0.403
MAR-TRE-92684b97-58
0.403
MAR-TRE-799db12b-42
0.402
MAR-TRE-4f781e27-89
0.400
MAR-TRE-c317dd82-28
0.400
MAR-TRE-4f781e27-3
0.400
MAR-TRE-4f781e27-37
0.397
MAR-TRE-a9136c7b-39
0.397
MAR-TRE-a9136c7b-84
0.395
MAR-TRE-9d18ae8c-45
0.393
MAR-TRE-9d18ae8c-56
0.392
MAR-TRE-66ac689e-78
0.392
MAR-TRE-4f781e27-80
0.392
MAR-TRE-9d18ae8c-75
0.392
MAR-TRE-8190bb11-63
0.392
MAR-TRE-8190bb11-29
0.392
MAR-TRE-be9ff7d2-58
0.392
MAR-TRE-4f781e27-50
0.392
MAR-TRE-92684b97-33
0.390
MAR-TRE-799db12b-30
0.390
MAR-TRE-8190bb11-66
0.390
MAR-TRE-8190bb11-3
0.390
MAR-TRE-c317dd82-1
0.390
MAR-TRE-4f781e27-15
0.390
MAR-TRE-92684b97-42
0.388
MAR-TRE-be9ff7d2-27
0.388
MAR-TRE-e82e6c98-90
0.388
MAR-TRE-be9ff7d2-23
0.387
MAR-TRE-8190bb11-1
0.387
MAR-TRE-e82e6c98-45
0.387
MAR-TRE-8190bb11-60
0.387
MAR-TRE-66ac689e-6
0.385
MAR-TRE-9d18ae8c-47
0.385
MAR-TRE-8190bb11-94
0.383
MAR-TRE-a9136c7b-3
0.382
MAR-TRE-4f781e27-55
0.380
MAR-TRE-92684b97-65
0.380
MAR-TRE-be9ff7d2-31
0.378
MAR-TRE-be9ff7d2-63
0.378
MAR-TRE-8190bb11-44
0.378
MAR-TRE-be9ff7d2-4
0.378