Molecular Properties | |
SMILES: | COc1ccc(NC(C)=O)cc1S(=O)(=O)NC(=O)c1cncnc1 |
MW: | 350.07 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 127.35 |
cLogP: | 0.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
Hetero_hetero
MAR-TRE-8190bb11-78
0.646
MAR-TRE-a9136c7b-92
0.536
MAR-TRE-8190bb11-77
0.493
MAR-TRE-799db12b-5
0.486
MAR-TRE-799db12b-10
0.479
MAR-TRE-8190bb11-38
0.468
MAR-TRE-66ac689e-63
0.467
MAR-TRE-4f781e27-72
0.465
MAR-TRE-799db12b-77
0.461
MAR-TRE-92684b97-40
0.458
MAR-TRE-799db12b-38
0.453
MAR-TRE-92684b97-48
0.452
MAR-TRE-66ac689e-50
0.447
MAR-TRE-be9ff7d2-13
0.446
MAR-TRE-92684b97-13
0.446
MAR-TRE-92684b97-69
0.440
MAR-TRE-8190bb11-57
0.438
MAR-TRE-66ac689e-11
0.438
MAR-TRE-4f781e27-54
0.434
MAR-TRE-8190bb11-53
0.432
MAR-TRE-4f781e27-17
0.432
MAR-TRE-92684b97-21
0.431
MAR-TRE-8190bb11-84
0.421
MAR-TRE-9d18ae8c-25
0.421
MAR-TRE-92684b97-34
0.421
MAR-TRE-a9136c7b-40
0.419
MAR-TRE-a9136c7b-20
0.419
MAR-TRE-9d18ae8c-70
0.418
MAR-TRE-a9136c7b-9
0.417
MAR-TRE-92684b97-25
0.415
MAR-TRE-4f781e27-63
0.410
MAR-TRE-66ac689e-13
0.408
MAR-TRE-a9136c7b-75
0.405
MAR-TRE-c317dd82-100
0.403
MAR-TRE-8190bb11-15
0.403
MAR-TRE-66ac689e-16
0.403
MAR-TRE-9d18ae8c-56
0.400
MAR-TRE-a9136c7b-90
0.400
MAR-TRE-92684b97-59
0.400
MAR-TRE-4f781e27-50
0.400
MAR-TRE-799db12b-30
0.398
MAR-TRE-8190bb11-45
0.397
MAR-TRE-8190bb11-12
0.397
MAR-TRE-92684b97-42
0.395
MAR-TRE-e82e6c98-45
0.395
MAR-TRE-e82e6c98-89
0.395
MAR-TRE-66ac689e-32
0.395
MAR-TRE-4f781e27-42
0.395
MAR-TRE-799db12b-42
0.393
MAR-TRE-92684b97-58
0.392
MAR-TRE-8190bb11-37
0.390
MAR-TRE-8190bb11-55
0.390
MAR-TRE-799db12b-88
0.388
MAR-TRE-a9136c7b-60
0.388
MAR-TRE-66ac689e-44
0.388
MAR-TRE-92684b97-90
0.388
MAR-TRE-8190bb11-44
0.387
MAR-TRE-92684b97-60
0.387
MAR-TRE-4f781e27-95
0.387
MAR-TRE-be9ff7d2-4
0.386
MAR-TRE-66ac689e-65
0.386
MAR-TRE-8190bb11-19
0.386
MAR-TRE-4f781e27-61
0.386
MAR-TRE-a9136c7b-84
0.385
MAR-TRE-e82e6c98-63
0.384
MAR-TRE-4f781e27-30
0.383
MAR-TRE-9d18ae8c-75
0.383
MAR-TRE-8190bb11-87
0.383
MAR-TRE-8190bb11-32
0.382
MAR-TRE-4f781e27-62
0.382
MAR-TRE-be9ff7d2-58
0.382
MAR-TRE-4f781e27-87
0.382
MAR-TRE-a9136c7b-99
0.381
MAR-TRE-92684b97-33
0.381
MAR-TRE-4f781e27-15
0.380
MAR-TRE-4f781e27-66
0.378
MAR-TRE-9d18ae8c-63
0.377
MAR-TRE-a9136c7b-56
0.377
MAR-TRE-be9ff7d2-23
0.377
MAR-TRE-8190bb11-1
0.377
MAR-TRE-92684b97-9
0.377
MAR-TRE-a9136c7b-43
0.377
MAR-TRE-8190bb11-60
0.377
MAR-TRE-9d18ae8c-77
0.376
MAR-TRE-be9ff7d2-86
0.375
MAR-TRE-9d18ae8c-47
0.375
MAR-TRE-66ac689e-6
0.375
MAR-TRE-8190bb11-94
0.373
MAR-TRE-4f781e27-3
0.373
MAR-TRE-4f781e27-89
0.373
MAR-TRE-4f781e27-46
0.373
MAR-TRE-c317dd82-43
0.373
MAR-TRE-9d18ae8c-82
0.372
MAR-TRE-799db12b-26
0.372
MAR-TRE-c317dd82-28
0.372
MAR-TRE-4f781e27-37
0.370
MAR-TRE-66ac689e-17
0.370
MAR-TRE-799db12b-83
0.369
MAR-TRE-4f781e27-97
0.369
MAR-TRE-be9ff7d2-31
0.368