Molecular Properties | |
SMILES: | O=C(O)c1cc2c(c(S(=O)(=O)NC(=O)c3cncnc3)c1)CCCC2 |
MW: | 361.07 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 126.32 |
cLogP: | 1.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-9d18ae8c-75
0.869
MAR-TRE-92684b97-40
0.507
MAR-TRE-8190bb11-57
0.486
MAR-TRE-8190bb11-53
0.479
MAR-TRE-4f781e27-17
0.479
MAR-TRE-92684b97-48
0.459
MAR-TRE-4f781e27-63
0.455
MAR-TRE-4f781e27-72
0.452
MAR-TRE-e82e6c98-63
0.451
MAR-TRE-a9136c7b-40
0.446
MAR-TRE-66ac689e-78
0.443
MAR-TRE-4f781e27-46
0.438
MAR-TRE-be9ff7d2-63
0.432
MAR-TRE-92684b97-34
0.429
MAR-TRE-8190bb11-29
0.427
MAR-TRE-a9136c7b-20
0.427
MAR-TRE-4f781e27-50
0.427
MAR-TRE-9d18ae8c-45
0.424
MAR-TRE-8190bb11-12
0.423
MAR-TRE-8190bb11-45
0.423
MAR-TRE-8190bb11-66
0.422
MAR-TRE-9d18ae8c-63
0.421
MAR-TRE-e82e6c98-90
0.420
MAR-TRE-4f781e27-66
0.420
MAR-TRE-92684b97-42
0.420
MAR-TRE-8190bb11-78
0.416
MAR-TRE-92684b97-13
0.416
MAR-TRE-4f781e27-3
0.415
MAR-TRE-c317dd82-100
0.410
MAR-TRE-92684b97-69
0.410
MAR-TRE-be9ff7d2-4
0.410
MAR-TRE-799db12b-83
0.410
MAR-TRE-92684b97-23
0.410
MAR-TRE-be9ff7d2-58
0.408
MAR-TRE-4f781e27-87
0.408
MAR-TRE-a9136c7b-90
0.407
MAR-TRE-8190bb11-3
0.405
MAR-TRE-a9136c7b-92
0.403
MAR-TRE-e82e6c98-58
0.400
MAR-TRE-92684b97-21
0.400
MAR-TRE-c317dd82-43
0.400
MAR-TRE-be9ff7d2-13
0.397
MAR-TRE-a9136c7b-3
0.397
MAR-TRE-8190bb11-37
0.397
MAR-TRE-a9136c7b-60
0.395
MAR-TRE-4f781e27-95
0.395
MAR-TRE-a9136c7b-75
0.395
MAR-TRE-92684b97-30
0.393
MAR-TRE-8190bb11-84
0.392
MAR-TRE-799db12b-10
0.392
MAR-TRE-9d18ae8c-25
0.392
MAR-TRE-9d18ae8c-70
0.390
MAR-TRE-8190bb11-32
0.390
MAR-TRE-92684b97-33
0.388
MAR-TRE-8190bb11-77
0.388
MAR-TRE-be9ff7d2-27
0.386
MAR-TRE-8190bb11-38
0.386
MAR-TRE-e82e6c98-89
0.385
MAR-TRE-a9136c7b-56
0.385
MAR-TRE-66ac689e-32
0.385
MAR-TRE-e82e6c98-45
0.385
MAR-TRE-be9ff7d2-23
0.385
MAR-TRE-66ac689e-50
0.383
MAR-TRE-66ac689e-63
0.383
MAR-TRE-799db12b-5
0.383
MAR-TRE-4f781e27-89
0.381
MAR-TRE-66ac689e-13
0.380
MAR-TRE-799db12b-77
0.378
MAR-TRE-799db12b-88
0.378
MAR-TRE-66ac689e-17
0.378
MAR-TRE-8190bb11-19
0.376
MAR-TRE-66ac689e-11
0.376
MAR-TRE-a9136c7b-15
0.375
MAR-TRE-8190bb11-15
0.375
MAR-TRE-a9136c7b-41
0.373
MAR-TRE-4f781e27-30
0.373
MAR-TRE-4f781e27-52
0.372
MAR-TRE-4f781e27-62
0.372
MAR-TRE-92684b97-59
0.372
MAR-TRE-9d18ae8c-100
0.370
MAR-TRE-4f781e27-15
0.370
MAR-TRE-4f781e27-54
0.370
MAR-TRE-a9136c7b-43
0.367
MAR-TRE-92684b97-58
0.366
MAR-TRE-92684b97-94
0.365
MAR-TRE-c317dd82-79
0.364
MAR-TRE-be9ff7d2-88
0.364
MAR-TRE-8190bb11-55
0.362
MAR-TRE-66ac689e-44
0.361
MAR-TRE-92684b97-90
0.361
MAR-TRE-4f781e27-61
0.360
MAR-TRE-4f781e27-97
0.360
MAR-TRE-799db12b-6
0.360
MAR-TRE-a9136c7b-39
0.359
MAR-TRE-92684b97-60
0.359
MAR-TRE-a9136c7b-84
0.358
MAR-TRE-66ac689e-16
0.358
MAR-TRE-a9136c7b-61
0.357
MAR-TRE-a9136c7b-99
0.356
MAR-TRE-799db12b-30
0.356