Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc(CNC(=O)c2cncnc2)cc1 |
MW: | 291.07 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 89.02 |
cLogP: | 0.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-8190bb11-13
0.741
MAR-TRE-8190bb11-50
0.702
MAR-TRE-799db12b-35
0.655
MAR-TRE-4f781e27-99
0.627
MAR-TRE-8190bb11-85
0.614
MAR-TRE-92684b97-78
0.607
MAR-TRE-92684b97-11
0.581
MAR-TRE-66ac689e-12
0.571
MAR-TRE-9d18ae8c-89
0.548
MAR-TRE-be9ff7d2-17
0.547
MAR-TRE-66ac689e-73
0.530
MAR-TRE-66ac689e-26
0.515
MAR-TRE-66ac689e-14
0.508
MAR-TRE-799db12b-52
0.507
MAR-TRE-66ac689e-20
0.500
MAR-TRE-66ac689e-21
0.493
MAR-TRE-9d18ae8c-49
0.486
MAR-TRE-8190bb11-47
0.477
MAR-TRE-8190bb11-5
0.476
MAR-TRE-799db12b-72
0.472
MAR-TRE-799db12b-84
0.463
MAR-TRE-4f781e27-92
0.457
MAR-TRE-9d18ae8c-36
0.452
MAR-TRE-66ac689e-37
0.443
MAR-TRE-8190bb11-8
0.440
MAR-TRE-799db12b-44
0.437
MAR-TRE-9d18ae8c-53
0.437
MAR-TRE-a9136c7b-54
0.435
MAR-TRE-799db12b-27
0.431
MAR-TRE-92684b97-82
0.431
MAR-TRE-799db12b-16
0.431
MAR-TRE-8190bb11-86
0.431
MAR-TRE-4f781e27-88
0.425
MAR-TRE-e82e6c98-54
0.424
MAR-TRE-92684b97-13
0.420
MAR-TRE-be9ff7d2-67
0.419
MAR-TRE-799db12b-24
0.419
MAR-TRE-799db12b-33
0.419
MAR-TRE-8190bb11-34
0.419
MAR-TRE-9d18ae8c-54
0.419
MAR-TRE-9d18ae8c-83
0.419
MAR-TRE-be9ff7d2-11
0.418
MAR-TRE-e82e6c98-74
0.418
MAR-TRE-a9136c7b-24
0.417
MAR-TRE-92684b97-81
0.417
MAR-TRE-8190bb11-80
0.413
MAR-TRE-9d18ae8c-30
0.413
MAR-TRE-8190bb11-88
0.411
MAR-TRE-9d18ae8c-6
0.411
MAR-TRE-66ac689e-5
0.411
MAR-TRE-e82e6c98-68
0.409
MAR-TRE-66ac689e-1
0.408
MAR-TRE-9d18ae8c-81
0.405
MAR-TRE-799db12b-76
0.405
MAR-TRE-be9ff7d2-90
0.403
MAR-TRE-8190bb11-31
0.403
MAR-TRE-9d18ae8c-11
0.403
MAR-TRE-9d18ae8c-43
0.403
MAR-TRE-9d18ae8c-46
0.400
MAR-TRE-799db12b-2
0.400
MAR-TRE-799db12b-3
0.400
MAR-TRE-92684b97-64
0.400
MAR-TRE-9d18ae8c-18
0.400
MAR-TRE-799db12b-9
0.398
MAR-TRE-799db12b-97
0.397
MAR-TRE-9d18ae8c-34
0.397
MAR-TRE-e82e6c98-91
0.397
MAR-TRE-8190bb11-42
0.397
MAR-TRE-92684b97-74
0.397
MAR-TRE-a9136c7b-31
0.395
MAR-TRE-66ac689e-33
0.395
MAR-TRE-4f781e27-2
0.395
MAR-TRE-9d18ae8c-52
0.395
MAR-TRE-4f781e27-28
0.394
MAR-TRE-9d18ae8c-65
0.392
MAR-TRE-8190bb11-73
0.392
MAR-TRE-4f781e27-25
0.391
MAR-TRE-9d18ae8c-1
0.390
MAR-TRE-9d18ae8c-7
0.390
MAR-TRE-8190bb11-81
0.389
MAR-TRE-8190bb11-82
0.389
MAR-TRE-92684b97-54
0.389
MAR-TRE-9d18ae8c-74
0.389
MAR-TRE-9d18ae8c-16
0.388
MAR-TRE-92684b97-96
0.387
MAR-TRE-be9ff7d2-1
0.386
MAR-TRE-799db12b-69
0.385
MAR-TRE-799db12b-51
0.385
MAR-TRE-4f781e27-100
0.384
MAR-TRE-4f781e27-85
0.382
MAR-TRE-a9136c7b-100
0.382
MAR-TRE-c317dd82-55
0.380
MAR-TRE-66ac689e-13
0.380
MAR-TRE-799db12b-14
0.380
MAR-TRE-92684b97-6
0.380
MAR-TRE-66ac689e-54
0.380
MAR-TRE-4f781e27-55
0.378
MAR-TRE-9d18ae8c-84
0.378
MAR-TRE-e82e6c98-25
0.378
MAR-TRE-8190bb11-99
0.378