Molecular Properties | |
SMILES: | COc1ccc(S(=O)(=O)NC(=O)c2cncnc2)cc1C(=O)O |
MW: | 337.04 |
Fraction sp3: | 0.08 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 135.55 |
cLogP: | 0.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-4f781e27-87
0.667
MAR-TRE-8190bb11-32
0.641
MAR-TRE-66ac689e-32
0.631
MAR-TRE-8190bb11-37
0.621
MAR-TRE-8190bb11-3
0.557
MAR-TRE-8190bb11-78
0.551
MAR-TRE-92684b97-59
0.544
MAR-TRE-a9136c7b-56
0.536
MAR-TRE-9d18ae8c-63
0.536
MAR-TRE-e82e6c98-63
0.530
MAR-TRE-92684b97-60
0.529
MAR-TRE-4f781e27-62
0.522
MAR-TRE-66ac689e-16
0.521
MAR-TRE-4f781e27-46
0.515
MAR-TRE-a9136c7b-92
0.514
MAR-TRE-be9ff7d2-23
0.514
MAR-TRE-4f781e27-15
0.514
MAR-TRE-a9136c7b-3
0.507
MAR-TRE-66ac689e-13
0.507
MAR-TRE-9d18ae8c-47
0.507
MAR-TRE-a9136c7b-15
0.500
MAR-TRE-a9136c7b-61
0.493
MAR-TRE-8190bb11-77
0.493
MAR-TRE-8190bb11-60
0.493
MAR-TRE-8190bb11-1
0.493
MAR-TRE-92684b97-48
0.493
MAR-TRE-799db12b-6
0.487
MAR-TRE-66ac689e-6
0.486
MAR-TRE-e82e6c98-58
0.486
MAR-TRE-8190bb11-94
0.481
MAR-TRE-92684b97-34
0.479
MAR-TRE-92684b97-30
0.474
MAR-TRE-8190bb11-87
0.474
MAR-TRE-799db12b-32
0.473
MAR-TRE-9d18ae8c-100
0.473
MAR-TRE-92684b97-9
0.472
MAR-TRE-799db12b-53
0.467
MAR-TRE-a9136c7b-75
0.465
MAR-TRE-a9136c7b-88
0.463
MAR-TRE-799db12b-10
0.459
MAR-TRE-8190bb11-29
0.458
MAR-TRE-4f781e27-97
0.456
MAR-TRE-92684b97-23
0.456
MAR-TRE-8190bb11-45
0.453
MAR-TRE-8190bb11-12
0.453
MAR-TRE-e82e6c98-45
0.452
MAR-TRE-4f781e27-17
0.452
MAR-TRE-c317dd82-43
0.451
MAR-TRE-a9136c7b-1
0.446
MAR-TRE-9d18ae8c-5
0.444
MAR-TRE-92684b97-94
0.443
MAR-TRE-799db12b-77
0.442
MAR-TRE-a9136c7b-79
0.439
MAR-TRE-a9136c7b-40
0.438
MAR-TRE-92684b97-40
0.438
MAR-TRE-799db12b-81
0.438
MAR-TRE-8190bb11-52
0.438
MAR-TRE-9d18ae8c-44
0.438
MAR-TRE-66ac689e-4
0.438
MAR-TRE-be9ff7d2-45
0.434
MAR-TRE-c317dd82-1
0.434
MAR-TRE-4f781e27-10
0.434
MAR-TRE-4f781e27-52
0.432
MAR-TRE-66ac689e-63
0.429
MAR-TRE-92684b97-13
0.427
MAR-TRE-a9136c7b-39
0.425
MAR-TRE-4f781e27-72
0.425
MAR-TRE-4f781e27-95
0.425
MAR-TRE-8190bb11-44
0.425
MAR-TRE-92684b97-65
0.423
MAR-TRE-9d18ae8c-82
0.422
MAR-TRE-66ac689e-65
0.420
MAR-TRE-8190bb11-57
0.419
MAR-TRE-4f781e27-50
0.419
MAR-TRE-be9ff7d2-58
0.419
MAR-TRE-799db12b-1
0.419
MAR-TRE-8190bb11-53
0.413
MAR-TRE-8190bb11-38
0.412
MAR-TRE-c317dd82-36
0.410
MAR-TRE-9d18ae8c-77
0.410
MAR-TRE-8190bb11-55
0.408
MAR-TRE-be9ff7d2-63
0.405
MAR-TRE-9d18ae8c-25
0.403
MAR-TRE-66ac689e-11
0.402
MAR-TRE-8190bb11-21
0.402
MAR-TRE-799db12b-56
0.402
MAR-TRE-a9136c7b-20
0.400
MAR-TRE-a9136c7b-99
0.398
MAR-TRE-799db12b-79
0.397
MAR-TRE-799db12b-22
0.395
MAR-TRE-4f781e27-42
0.395
MAR-TRE-92684b97-21
0.392
MAR-TRE-8190bb11-15
0.385
MAR-TRE-92684b97-69
0.385
MAR-TRE-a9136c7b-9
0.384
MAR-TRE-9d18ae8c-75
0.383
MAR-TRE-92684b97-29
0.383
MAR-TRE-9d18ae8c-56
0.383
MAR-TRE-799db12b-38
0.380
MAR-TRE-4f781e27-90
0.380