Molecular Properties | |
SMILES: | CCCn1c(=O)[nH]c2cc(S(=O)(=O)NC(=O)c3cncnc3)ccc21 |
MW: | 361.08 |
Fraction sp3: | 0.2 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 126.81 |
cLogP: | 0.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
Hetero_hetero
MAR-TRE-a9136c7b-61
0.538
MAR-TRE-66ac689e-6
0.513
MAR-TRE-4f781e27-97
0.500
MAR-TRE-a9136c7b-1
0.488
MAR-TRE-92684b97-59
0.468
MAR-TRE-4f781e27-62
0.468
MAR-TRE-8190bb11-87
0.463
MAR-TRE-9d18ae8c-100
0.463
MAR-TRE-66ac689e-13
0.456
MAR-TRE-92684b97-60
0.455
MAR-TRE-66ac689e-16
0.450
MAR-TRE-8190bb11-32
0.449
MAR-TRE-4f781e27-87
0.449
MAR-TRE-66ac689e-32
0.443
MAR-TRE-8190bb11-1
0.443
MAR-TRE-8190bb11-60
0.443
MAR-TRE-4f781e27-52
0.442
MAR-TRE-4f781e27-46
0.442
MAR-TRE-799db12b-5
0.439
MAR-TRE-9d18ae8c-47
0.439
MAR-TRE-8190bb11-37
0.438
MAR-TRE-8190bb11-94
0.435
MAR-TRE-92684b97-94
0.435
MAR-TRE-799db12b-81
0.430
MAR-TRE-799db12b-6
0.427
MAR-TRE-be9ff7d2-45
0.427
MAR-TRE-be9ff7d2-23
0.425
MAR-TRE-92684b97-9
0.425
MAR-TRE-799db12b-53
0.422
MAR-TRE-a9136c7b-88
0.420
MAR-TRE-e82e6c98-63
0.416
MAR-TRE-92684b97-23
0.414
MAR-TRE-66ac689e-4
0.414
MAR-TRE-92684b97-30
0.414
MAR-TRE-66ac689e-65
0.414
MAR-TRE-8190bb11-29
0.412
MAR-TRE-c317dd82-1
0.410
MAR-TRE-92684b97-65
0.400
MAR-TRE-9d18ae8c-44
0.398
MAR-TRE-4f781e27-10
0.396
MAR-TRE-8190bb11-3
0.393
MAR-TRE-799db12b-22
0.391
MAR-TRE-a9136c7b-56
0.390
MAR-TRE-a9136c7b-92
0.390
MAR-TRE-9d18ae8c-63
0.390
MAR-TRE-9d18ae8c-77
0.389
MAR-TRE-c317dd82-36
0.388
MAR-TRE-be9ff7d2-13
0.386
MAR-TRE-92684b97-13
0.386
MAR-TRE-799db12b-1
0.383
MAR-TRE-a9136c7b-39
0.383
MAR-TRE-8190bb11-21
0.382
MAR-TRE-a9136c7b-84
0.381
MAR-TRE-a9136c7b-99
0.378
MAR-TRE-4f781e27-15
0.376
MAR-TRE-4f781e27-90
0.376
MAR-TRE-9d18ae8c-82
0.370
MAR-TRE-a9136c7b-3
0.369
MAR-TRE-8190bb11-78
0.369
MAR-TRE-92684b97-90
0.368
MAR-TRE-be9ff7d2-31
0.366
MAR-TRE-4f781e27-72
0.366
MAR-TRE-4f781e27-95
0.366
MAR-TRE-799db12b-10
0.365
MAR-TRE-a9136c7b-15
0.365
MAR-TRE-8190bb11-63
0.364
MAR-TRE-92684b97-40
0.361
MAR-TRE-8190bb11-77
0.360
MAR-TRE-8190bb11-38
0.360
MAR-TRE-92684b97-48
0.357
MAR-TRE-e82e6c98-45
0.357
MAR-TRE-4f781e27-17
0.357
MAR-TRE-799db12b-77
0.352
MAR-TRE-8190bb11-15
0.349
MAR-TRE-92684b97-34
0.349
MAR-TRE-92684b97-69
0.349
MAR-TRE-9d18ae8c-25
0.349
MAR-TRE-92684b97-33
0.348
MAR-TRE-be9ff7d2-58
0.345
MAR-TRE-8190bb11-57
0.345
MAR-TRE-4f781e27-50
0.345
MAR-TRE-799db12b-38
0.345
MAR-TRE-9d18ae8c-5
0.344
MAR-TRE-8190bb11-53
0.341
MAR-TRE-e82e6c98-89
0.341
MAR-TRE-4f781e27-42
0.341
MAR-TRE-66ac689e-63
0.341
MAR-TRE-e82e6c98-58
0.341
MAR-TRE-4f781e27-89
0.341
MAR-TRE-92684b97-21
0.337
MAR-TRE-c317dd82-28
0.337
MAR-TRE-4f781e27-55
0.337
MAR-TRE-a9136c7b-25
0.337
MAR-TRE-799db12b-83
0.337
MAR-TRE-be9ff7d2-63
0.333
MAR-TRE-a9136c7b-41
0.333
MAR-TRE-a9136c7b-75
0.333
MAR-TRE-4f781e27-80
0.333
MAR-TRE-a9136c7b-90
0.333
MAR-TRE-66ac689e-39
0.333