Molecular Properties | |
SMILES: | CS(=O)(=O)Nc1cccc(CNC(=O)c2cncnc2)c1 |
MW: | 306.08 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 101.05 |
cLogP: | 0.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-9d18ae8c-36
0.716
MAR-TRE-9d18ae8c-49
0.676
MAR-TRE-9d18ae8c-30
0.643
MAR-TRE-66ac689e-37
0.642
MAR-TRE-9d18ae8c-53
0.632
MAR-TRE-799db12b-16
0.623
MAR-TRE-799db12b-27
0.623
MAR-TRE-799db12b-3
0.606
MAR-TRE-799db12b-24
0.606
MAR-TRE-799db12b-33
0.606
MAR-TRE-9d18ae8c-54
0.606
MAR-TRE-9d18ae8c-18
0.583
MAR-TRE-799db12b-2
0.583
MAR-TRE-9d18ae8c-43
0.581
MAR-TRE-9d18ae8c-11
0.581
MAR-TRE-9d18ae8c-52
0.575
MAR-TRE-4f781e27-2
0.575
MAR-TRE-9d18ae8c-7
0.568
MAR-TRE-799db12b-51
0.560
MAR-TRE-92684b97-6
0.553
MAR-TRE-9d18ae8c-34
0.553
MAR-TRE-799db12b-97
0.553
MAR-TRE-799db12b-14
0.553
MAR-TRE-9d18ae8c-10
0.545
MAR-TRE-9d18ae8c-16
0.538
MAR-TRE-799db12b-76
0.538
MAR-TRE-8190bb11-24
0.530
MAR-TRE-92684b97-11
0.529
MAR-TRE-799db12b-4
0.525
MAR-TRE-be9ff7d2-17
0.521
MAR-TRE-66ac689e-12
0.521
MAR-TRE-799db12b-44
0.521
MAR-TRE-92684b97-81
0.521
MAR-TRE-92684b97-82
0.514
MAR-TRE-9d18ae8c-6
0.514
MAR-TRE-8190bb11-80
0.513
MAR-TRE-a9136c7b-11
0.512
MAR-TRE-8190bb11-8
0.500
MAR-TRE-9d18ae8c-46
0.500
MAR-TRE-8190bb11-31
0.500
MAR-TRE-8190bb11-34
0.500
MAR-TRE-66ac689e-33
0.494
MAR-TRE-8190bb11-13
0.493
MAR-TRE-66ac689e-1
0.487
MAR-TRE-799db12b-73
0.486
MAR-TRE-799db12b-35
0.479
MAR-TRE-799db12b-69
0.463
MAR-TRE-4f781e27-99
0.458
MAR-TRE-66ac689e-54
0.457
MAR-TRE-799db12b-9
0.453
MAR-TRE-8190bb11-50
0.452
MAR-TRE-9d18ae8c-65
0.451
MAR-TRE-8190bb11-85
0.443
MAR-TRE-4f781e27-55
0.442
MAR-TRE-799db12b-18
0.440
MAR-TRE-92684b97-78
0.435
MAR-TRE-4f781e27-88
0.430
MAR-TRE-8190bb11-4
0.425
MAR-TRE-4f781e27-92
0.423
RAL-MED-2de63afb-12
0.421
MAR-TRE-8190bb11-86
0.418
MAR-TRE-66ac689e-26
0.416
MAR-TRE-9d18ae8c-89
0.400
MAR-TRE-be9ff7d2-90
0.392
MAR-TRE-a9136c7b-31
0.386
MAR-TRE-e82e6c98-25
0.386
MAR-TRE-be9ff7d2-67
0.386
MAR-TRE-a9136c7b-54
0.385
MAR-TRE-4f781e27-49
0.384
MAR-TRE-4f781e27-80
0.383
MAR-TRE-66ac689e-21
0.383
MAR-TRE-799db12b-52
0.378
MAR-TRE-9d18ae8c-81
0.378
MAR-TRE-66ac689e-31
0.378
MAR-TRE-4f781e27-100
0.375
MAR-TRE-4f781e27-43
0.372
MAR-TRE-4f781e27-37
0.370
MAR-TRE-92684b97-89
0.370
MAR-TRE-a9136c7b-24
0.370
MAR-TRE-66ac689e-20
0.370
MAR-TRE-92684b97-55
0.370
MAR-TRE-4f781e27-47
0.369
MAR-TRE-4f781e27-83
0.369
MAR-TRE-8190bb11-42
0.368
MAR-TRE-4f781e27-28
0.367
AAR-UNI-c25c2f1e-65
0.367
MAR-TRE-92684b97-91
0.366
MAR-TRE-92684b97-53
0.366
MAR-TRE-a9136c7b-4
0.366
MAR-TRE-799db12b-40
0.365
MAR-TRE-8190bb11-83
0.365
MAR-TRE-92684b97-54
0.362
MAR-TRE-e82e6c98-12
0.362
MAR-TRE-9d18ae8c-74
0.362
MAR-TRE-66ac689e-98
0.362
MAR-TRE-8190bb11-82
0.362
MAR-TRE-92684b97-96
0.361
MAR-TRE-e82e6c98-68
0.360
MAR-TRE-799db12b-39
0.358
MAR-TRE-a9136c7b-14
0.358