Molecular Properties | |
SMILES: | CN1C(=O)C(=O)N(CCCNC(=O)c2cncnc2)C1=O |
MW: | 291.1 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 112.57 |
cLogP: | -0.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
diketo group
hydantoin
Filter41_12_dicarbonyl
MAR-TRE-8190bb11-96
0.623
MAR-TRE-8190bb11-33
0.529
MAR-TRE-4f781e27-7
0.514
MAR-TRE-c317dd82-92
0.500
MAR-TRE-be9ff7d2-41
0.456
MAR-TRE-a9136c7b-23
0.456
MAR-TRE-e82e6c98-29
0.451
MAR-TRE-66ac689e-59
0.449
MAR-TRE-8190bb11-30
0.432
MAR-TRE-e82e6c98-47
0.426
MAR-TRE-be9ff7d2-32
0.425
MAR-TRE-e82e6c98-50
0.411
MAR-TRE-4f781e27-58
0.405
MAR-TRE-e82e6c98-22
0.403
MAR-TRE-e82e6c98-75
0.403
MAR-TRE-799db12b-68
0.385
MAR-TRE-e82e6c98-60
0.382
MAR-TRE-66ac689e-35
0.382
MAR-TRE-c317dd82-70
0.382
MAR-TRE-66ac689e-47
0.380
MAR-TRE-e82e6c98-76
0.375
MAR-TRE-66ac689e-91
0.375
MAR-TRE-8190bb11-64
0.373
MAR-TRE-be9ff7d2-40
0.373
MAR-TRE-be9ff7d2-92
0.372
MAR-TRE-e82e6c98-5
0.372
MAR-TRE-4f781e27-85
0.366
MAR-TRE-e82e6c98-85
0.366
MAR-TRE-e82e6c98-92
0.366
MAR-TRE-8190bb11-95
0.364
MAR-TRE-c317dd82-22
0.360
MAR-TRE-8190bb11-24
0.357
MAR-TRE-8190bb11-85
0.357
MAR-TRE-4f781e27-16
0.355
MAR-TRE-8190bb11-46
0.354
MAR-TRE-e82e6c98-64
0.354
MAR-TRE-92684b97-37
0.354
MAR-TRE-be9ff7d2-5
0.353
MAR-TRE-e82e6c98-68
0.352
MAR-TRE-a9136c7b-56
0.351
MAR-TRE-799db12b-64
0.349
MAR-TRE-e82e6c98-37
0.349
MAR-TRE-8190bb11-13
0.347
MAR-TRE-92684b97-11
0.347
MAR-TRE-c317dd82-55
0.347
MAR-TRE-c317dd82-26
0.346
MAR-TRE-8190bb11-42
0.342
MAR-TRE-92684b97-74
0.342
MAR-TRE-be9ff7d2-11
0.342
MAR-TRE-be9ff7d2-19
0.342
MAR-TRE-e82e6c98-16
0.342
MAR-TRE-4f781e27-23
0.341
MAR-TRE-c317dd82-51
0.341
MAR-TRE-e82e6c98-3
0.341
MAR-TRE-be9ff7d2-67
0.338
MAR-TRE-799db12b-35
0.338
MAR-TRE-4f781e27-99
0.338
MAR-TRE-9d18ae8c-89
0.338
MAR-TRE-e82e6c98-12
0.338
MAR-TRE-66ac689e-26
0.338
MAR-TRE-4f781e27-65
0.338
MAR-TRE-4f781e27-81
0.338
MAR-TRE-799db12b-11
0.337
MAR-TRE-c317dd82-60
0.337
MAR-TRE-e82e6c98-51
0.337
MAR-TRE-4f781e27-82
0.337
MAR-TRE-a9136c7b-83
0.337
MAR-TRE-66ac689e-6
0.333
MAR-TRE-a9136c7b-100
0.333
MAR-TRE-c317dd82-57
0.333
MAR-TRE-4f781e27-19
0.333
MAR-TRE-be9ff7d2-94
0.333
MAR-TRE-e82e6c98-62
0.333
MAR-TRE-be9ff7d2-18
0.333
MAR-TRE-e82e6c98-4
0.333
MAR-TRE-e82e6c98-10
0.333
MAR-TRE-66ac689e-53
0.329
MAR-TRE-be9ff7d2-37
0.329
MAR-TRE-4f781e27-48
0.329
MAR-TRE-8190bb11-39
0.329
MAR-TRE-c317dd82-6
0.329
MAR-TRE-66ac689e-20
0.329
MAR-TRE-be9ff7d2-13
0.329
MAR-TRE-be9ff7d2-42
0.329
MAR-TRE-e82e6c98-48
0.329
MAR-TRE-be9ff7d2-44
0.329
MAR-TRE-be9ff7d2-43
0.329
MAR-TRE-c317dd82-96
0.329
MAR-TRE-e82e6c98-77
0.329
MAR-TRE-92684b97-52
0.329
MAR-TRE-92684b97-78
0.329
MAR-TRE-be9ff7d2-39
0.325
MAR-TRE-be9ff7d2-77
0.325
MAR-TRE-e82e6c98-82
0.325
MAR-TRE-66ac689e-21
0.325
MAR-TRE-be9ff7d2-14
0.325
MAR-TRE-be9ff7d2-17
0.325
MAR-TRE-be9ff7d2-98
0.325
MAR-TRE-a9136c7b-54
0.325
MAR-TRE-66ac689e-12
0.325