Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1ccc(NC(=O)C2CCNCC2)cc1)c1cncnc1 |
MW: | 389.12 |
Fraction sp3: | 0.29 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 130.15 |
cLogP: | 0.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-9d18ae8c-44
0.512
MAR-TRE-9d18ae8c-70
0.475
MAR-TRE-799db12b-6
0.437
MAR-TRE-8190bb11-60
0.436
MAR-TRE-4f781e27-52
0.435
MAR-TRE-4f781e27-41
0.434
MAR-TRE-66ac689e-13
0.430
MAR-TRE-92684b97-60
0.429
MAR-TRE-c317dd82-98
0.427
MAR-TRE-92684b97-30
0.424
MAR-TRE-8190bb11-32
0.423
MAR-TRE-4f781e27-62
0.423
MAR-TRE-4f781e27-87
0.423
MAR-TRE-92684b97-59
0.423
MAR-TRE-a9136c7b-61
0.422
MAR-TRE-9d18ae8c-100
0.420
MAR-TRE-be9ff7d2-23
0.418
MAR-TRE-66ac689e-32
0.418
MAR-TRE-8190bb11-1
0.418
MAR-TRE-92684b97-9
0.418
MAR-TRE-799db12b-53
0.415
MAR-TRE-66ac689e-6
0.415
MAR-TRE-8190bb11-37
0.412
MAR-TRE-a9136c7b-39
0.410
MAR-TRE-4b834d9a-56
0.408
MAR-TRE-e82e6c98-63
0.408
MAR-TRE-66ac689e-16
0.407
MAR-TRE-4f781e27-10
0.404
MAR-TRE-4f781e27-90
0.402
MAR-TRE-799db12b-22
0.400
MAR-TRE-9d18ae8c-5
0.398
MAR-TRE-9d18ae8c-47
0.398
MAR-TRE-799db12b-5
0.398
MAR-TRE-4f781e27-46
0.397
MAR-TRE-92684b97-94
0.395
MAR-TRE-9d18ae8c-82
0.393
MAR-TRE-4f781e27-97
0.391
MAR-TRE-66ac689e-65
0.391
MAR-TRE-92684b97-23
0.391
MAR-TRE-a9136c7b-9
0.389
MAR-TRE-8190bb11-29
0.388
MAR-TRE-8190bb11-3
0.386
MAR-TRE-4f781e27-15
0.386
MAR-TRE-a9136c7b-56
0.383
MAR-TRE-9d18ae8c-63
0.383
MAR-TRE-a9136c7b-88
0.382
MAR-TRE-9d18ae8c-77
0.382
MAR-TRE-4f781e27-63
0.381
MAR-TRE-e82e6c98-58
0.381
MAR-TRE-8190bb11-94
0.379
MAR-TRE-c317dd82-28
0.378
MAR-TRE-a9136c7b-3
0.378
MAR-TRE-92684b97-13
0.378
MAR-TRE-a9136c7b-79
0.378
MAR-TRE-92684b97-65
0.376
MAR-TRE-799db12b-1
0.376
MAR-TRE-799db12b-81
0.375
MAR-TRE-66ac689e-4
0.375
MAR-TRE-a9136c7b-15
0.373
MAR-TRE-8190bb11-84
0.373
MAR-TRE-8190bb11-87
0.372
MAR-TRE-92684b97-25
0.371
MAR-TRE-be9ff7d2-58
0.370
MAR-TRE-a9136c7b-1
0.370
MAR-TRE-c317dd82-1
0.369
MAR-TRE-be9ff7d2-45
0.369
MAR-TRE-c317dd82-36
0.365
MAR-TRE-66ac689e-50
0.365
MAR-TRE-c317dd82-30
0.364
MAR-TRE-a9136c7b-44
0.364
MAR-TRE-a9136c7b-64
0.364
MAR-TRE-4f781e27-64
0.361
MAR-TRE-799db12b-93
0.360
MAR-TRE-8190bb11-21
0.360
MAR-TRE-8190bb11-44
0.358
MAR-TRE-92684b97-69
0.357
MAR-TRE-9d18ae8c-56
0.356
MAR-TRE-9d18ae8c-75
0.356
MAR-TRE-92684b97-33
0.356
MAR-TRE-92684b97-40
0.354
MAR-TRE-8190bb11-57
0.354
MAR-TRE-8190bb11-77
0.353
MAR-TRE-8190bb11-38
0.352
MAR-TRE-be9ff7d2-27
0.352
MAR-TRE-4f781e27-66
0.352
MAR-TRE-a9136c7b-43
0.349
MAR-TRE-8190bb11-53
0.349
MAR-TRE-4f781e27-17
0.349
MAR-TRE-4f781e27-42
0.349
MAR-TRE-92684b97-48
0.349
MAR-TRE-799db12b-26
0.348
MAR-TRE-9d18ae8c-34
0.348
MAR-TRE-be9ff7d2-88
0.346
MAR-TRE-92684b97-21
0.346
MAR-TRE-8190bb11-78
0.345
MAR-TRE-8190bb11-19
0.344
MAR-TRE-4f781e27-95
0.341
MAR-TRE-4f781e27-72
0.341
MAR-TRE-a9136c7b-75
0.341
MAR-TRE-92684b97-34
0.341