Molecular Properties | |
SMILES: | CS(=O)(=O)c1cc(CNC(=O)c2cncnc2)ccn1 |
MW: | 292.06 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 101.91 |
cLogP: | 0.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-11
0.567
MAR-TRE-66ac689e-12
0.559
MAR-TRE-8190bb11-24
0.547
MAR-TRE-66ac689e-73
0.521
MAR-TRE-799db12b-35
0.515
MAR-TRE-8190bb11-13
0.485
MAR-TRE-4f781e27-99
0.471
MAR-TRE-9d18ae8c-36
0.468
MAR-TRE-799db12b-16
0.467
MAR-TRE-8190bb11-50
0.465
MAR-TRE-e82e6c98-25
0.463
MAR-TRE-66ac689e-37
0.459
MAR-TRE-8190bb11-85
0.456
MAR-TRE-8190bb11-8
0.456
MAR-TRE-799db12b-2
0.455
MAR-TRE-9d18ae8c-46
0.455
MAR-TRE-92684b97-81
0.453
MAR-TRE-9d18ae8c-53
0.453
MAR-TRE-799db12b-44
0.453
MAR-TRE-4f781e27-92
0.453
MAR-TRE-92684b97-78
0.448
MAR-TRE-799db12b-27
0.447
MAR-TRE-92684b97-82
0.447
MAR-TRE-8190bb11-86
0.447
MAR-TRE-9d18ae8c-11
0.438
MAR-TRE-9d18ae8c-43
0.438
MAR-TRE-8190bb11-34
0.436
MAR-TRE-799db12b-3
0.436
MAR-TRE-799db12b-24
0.436
MAR-TRE-799db12b-33
0.436
MAR-TRE-9d18ae8c-18
0.436
MAR-TRE-9d18ae8c-54
0.436
MAR-TRE-92684b97-6
0.432
MAR-TRE-799db12b-97
0.432
MAR-TRE-9d18ae8c-34
0.432
MAR-TRE-9d18ae8c-52
0.430
MAR-TRE-66ac689e-33
0.430
MAR-TRE-8190bb11-80
0.430
MAR-TRE-4f781e27-2
0.430
MAR-TRE-9d18ae8c-30
0.430
MAR-TRE-9d18ae8c-6
0.429
MAR-TRE-9d18ae8c-49
0.427
MAR-TRE-66ac689e-1
0.425
MAR-TRE-9d18ae8c-7
0.425
MAR-TRE-4f781e27-88
0.423
MAR-TRE-e82e6c98-54
0.423
MAR-TRE-799db12b-76
0.422
MAR-TRE-9d18ae8c-16
0.422
MAR-TRE-8190bb11-31
0.420
MAR-TRE-e82e6c98-74
0.417
MAR-TRE-799db12b-9
0.414
MAR-TRE-9d18ae8c-89
0.411
MAR-TRE-66ac689e-26
0.408
MAR-TRE-799db12b-51
0.402
MAR-TRE-799db12b-69
0.402
MAR-TRE-799db12b-14
0.398
MAR-TRE-66ac689e-54
0.398
MAR-TRE-66ac689e-20
0.397
MAR-TRE-be9ff7d2-67
0.397
MAR-TRE-a9136c7b-31
0.395
MAR-TRE-799db12b-4
0.395
MAR-TRE-a9136c7b-54
0.395
MAR-TRE-9d18ae8c-10
0.393
MAR-TRE-9d18ae8c-65
0.393
MAR-TRE-be9ff7d2-58
0.392
MAR-TRE-e82e6c98-68
0.389
MAR-TRE-be9ff7d2-1
0.387
MAR-TRE-4f781e27-100
0.385
MAR-TRE-799db12b-18
0.384
MAR-TRE-be9ff7d2-90
0.384
MAR-TRE-c317dd82-28
0.382
MAR-TRE-799db12b-84
0.382
MAR-TRE-a9136c7b-24
0.380
MAR-TRE-8190bb11-40
0.380
MAR-TRE-8190bb11-42
0.378
MAR-TRE-be9ff7d2-11
0.378
MAR-TRE-799db12b-72
0.378
MAR-TRE-4f781e27-28
0.377
MAR-TRE-8190bb11-88
0.375
MAR-TRE-66ac689e-21
0.375
MAR-TRE-a9136c7b-11
0.371
MAR-TRE-9d18ae8c-81
0.370
MAR-TRE-e82e6c98-5
0.370
MAR-TRE-799db12b-52
0.370
MAR-TRE-92684b97-64
0.366
MAR-TRE-c317dd82-55
0.364
MAR-TRE-e82e6c98-91
0.362
MAR-TRE-4f781e27-55
0.362
MAR-TRE-4f781e27-83
0.361
MAR-TRE-a9136c7b-80
0.361
MAR-TRE-e82e6c98-57
0.360
MAR-TRE-92684b97-74
0.360
MAR-TRE-9d18ae8c-48
0.359
MAR-TRE-a9136c7b-4
0.359
MAR-TRE-8190bb11-73
0.358
MAR-TRE-92684b97-53
0.358
MAR-TRE-4f781e27-49
0.356
MAR-TRE-e82e6c98-23
0.355
MAR-TRE-66ac689e-81
0.354
MAR-TRE-8190bb11-82
0.354