Molecular Properties | |
SMILES: | O=C(CNC(=O)c1cncnc1)Nc1ccc(F)c(F)c1 |
MW: | 292.08 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 83.98 |
cLogP: | 1.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
MAR-TRE-4f781e27-49
0.600
MAR-TRE-4f781e27-43
0.594
MAR-TRE-c317dd82-35
0.561
MAR-TRE-92684b97-89
0.559
MAR-TRE-a9136c7b-51
0.557
MAR-TRE-6a44bbf2-16
0.542
MAR-TRE-4f781e27-19
0.485
MAR-TRE-9d18ae8c-48
0.471
MAR-TRE-a9136c7b-28
0.465
MAR-TRE-e82e6c98-54
0.463
MAR-TRE-799db12b-39
0.438
MAR-TRE-8190bb11-42
0.435
MAR-TRE-e82e6c98-50
0.425
MAR-TRE-e82e6c98-77
0.420
MAR-TRE-799db12b-84
0.417
MAR-TRE-799db12b-55
0.411
WIL-UNI-1faa9b10-3
0.408
MAR-TRE-66ac689e-37
0.400
MAR-TRE-4f781e27-85
0.400
MAR-TRE-9d18ae8c-53
0.395
MAR-TRE-66ac689e-28
0.392
WIL-UNI-1faa9b10-56
0.390
MAR-TRE-799db12b-24
0.380
MAR-TRE-799db12b-33
0.380
MAR-TRE-9d18ae8c-54
0.380
MAR-TRE-8190bb11-95
0.377
MAR-TRE-c317dd82-23
0.376
MAR-TRE-e82e6c98-18
0.372
MAR-TRE-799db12b-27
0.372
MAR-TRE-4f781e27-68
0.372
MAR-TRE-9d18ae8c-7
0.370
MAR-TRE-8190bb11-57
0.370
MAR-TRE-799db12b-7
0.367
MAR-TRE-4f781e27-96
0.364
MAR-TRE-e82e6c98-58
0.364
MAR-TRE-a9136c7b-2
0.361
MAR-TRE-e82e6c98-91
0.359
MAR-TRE-92684b97-46
0.358
MAR-TRE-9d18ae8c-10
0.357
MAR-TRE-4f781e27-12
0.356
MAR-TRE-be9ff7d2-98
0.355
MAR-TRE-799db12b-16
0.354
MAR-TRE-be9ff7d2-67
0.353
MAR-TRE-799db12b-76
0.353
MAR-TRE-8190bb11-85
0.352
MAR-TRE-e82e6c98-76
0.351
MAR-TRE-a9136c7b-20
0.351
MAR-TRE-4f781e27-84
0.351
MAR-TRE-e82e6c98-95
0.350
MAR-TRE-a9136c7b-76
0.349
MAR-TRE-9d18ae8c-11
0.349
MAR-TRE-9d18ae8c-43
0.349
MAR-TRE-799db12b-61
0.347
MAR-TRE-8190bb11-1
0.347
MAR-TRE-92684b97-75
0.347
MAR-TRE-799db12b-3
0.346
MAR-TRE-be9ff7d2-82
0.346
MAR-TRE-9d18ae8c-18
0.346
MAR-TRE-799db12b-2
0.346
MAR-TRE-9d18ae8c-62
0.344
MAR-TRE-92684b97-78
0.343
MAR-TRE-be9ff7d2-90
0.342
MAR-TRE-92684b97-11
0.342
MAR-TRE-66ac689e-13
0.342
MAR-TRE-8190bb11-37
0.342
MAR-TRE-92684b97-72
0.342
MAR-TRE-92684b97-88
0.342
MAR-TRE-be9ff7d2-37
0.341
MAR-TRE-a9136c7b-35
0.341
MAR-TRE-66ac689e-65
0.341
MAR-TRE-4f781e27-2
0.341
MAR-TRE-9d18ae8c-30
0.341
MAR-TRE-9d18ae8c-52
0.341
WIL-UNI-1faa9b10-8
0.341
MAR-TRE-9d18ae8c-49
0.341
MAR-TRE-e82e6c98-57
0.338
MAR-TRE-e82e6c98-80
0.338
MAR-TRE-92684b97-74
0.338
MAR-TRE-a9136c7b-33
0.338
MAR-TRE-be9ff7d2-17
0.338
MAR-TRE-8190bb11-69
0.338
MAR-TRE-4f781e27-31
0.338
MAR-TRE-92684b97-69
0.338
MAR-TRE-8190bb11-86
0.338
MAR-TRE-8190bb11-88
0.338
MAR-TRE-92684b97-91
0.338
MAR-TRE-be9ff7d2-39
0.337
MAR-TRE-8190bb11-76
0.337
MAR-TRE-a9136c7b-11
0.337
MAR-TRE-4f781e27-99
0.333
MAR-TRE-9d18ae8c-74
0.333
MAR-TRE-799db12b-51
0.333
MAR-TRE-66ac689e-34
0.333
MAR-TRE-8190bb11-18
0.333
MAR-TRE-8190bb11-24
0.333
MAR-TRE-8190bb11-96
0.333
MAR-TRE-4f781e27-82
0.333
MAR-TRE-4f781e27-15
0.333
MAR-TRE-a9136c7b-31
0.330
MAR-TRE-9d18ae8c-34
0.329