Molecular Properties | |
SMILES: | O=C(NC(c1ccc(F)cc1)c1ncc[nH]1)c1cncnc1 |
MW: | 297.1 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 83.56 |
cLogP: | 1.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-58
0.587
MAR-TRE-92684b97-15
0.551
MAR-TRE-66ac689e-85
0.543
MAR-TRE-66ac689e-94
0.514
MAR-TRE-66ac689e-100
0.507
MAR-TRE-66ac689e-62
0.471
MAR-TRE-799db12b-58
0.468
MAR-TRE-c317dd82-24
0.453
MAR-TRE-66ac689e-95
0.438
MAR-TRE-92684b97-41
0.431
MAR-TRE-a9136c7b-52
0.420
MAR-TRE-9d18ae8c-67
0.419
MAR-TRE-92684b97-18
0.418
MAR-TRE-9d18ae8c-41
0.416
MAR-TRE-a9136c7b-35
0.412
MAR-TRE-66ac689e-56
0.410
MAR-TRE-8190bb11-89
0.410
MAR-TRE-4f781e27-68
0.410
MAR-TRE-8190bb11-6
0.410
MAR-TRE-9d18ae8c-99
0.403
MAR-TRE-be9ff7d2-47
0.400
MAR-TRE-799db12b-28
0.400
MAR-TRE-9d18ae8c-26
0.398
MAR-TRE-a9136c7b-33
0.395
MAR-TRE-a9136c7b-26
0.393
MAR-TRE-66ac689e-64
0.392
MAR-TRE-799db12b-96
0.387
MAR-TRE-92684b97-77
0.387
MAR-TRE-799db12b-61
0.387
MAR-TRE-8190bb11-67
0.383
MAR-TRE-92684b97-84
0.383
MAR-TRE-9d18ae8c-4
0.383
MAR-TRE-799db12b-15
0.380
MAR-TRE-66ac689e-82
0.380
MAR-TRE-9d18ae8c-22
0.378
MAR-TRE-92684b97-16
0.378
MAR-TRE-799db12b-31
0.375
MAR-TRE-9d18ae8c-1
0.373
MAR-TRE-66ac689e-68
0.372
MAR-TRE-92684b97-49
0.371
MAR-TRE-a9136c7b-46
0.370
MAR-TRE-92684b97-63
0.370
MAR-TRE-8190bb11-5
0.370
MAR-TRE-4f781e27-70
0.370
MAR-TRE-9d18ae8c-59
0.370
MAR-TRE-9d18ae8c-92
0.369
MAR-TRE-92684b97-1
0.369
MAR-TRE-8190bb11-72
0.368
MAR-TRE-9d18ae8c-37
0.367
MAR-TRE-be9ff7d2-86
0.367
MAR-TRE-4f781e27-51
0.362
MAR-TRE-4f781e27-20
0.361
MAR-TRE-a9136c7b-58
0.361
MAR-TRE-92684b97-12
0.360
MAR-TRE-9d18ae8c-3
0.360
MAR-TRE-799db12b-19
0.360
MAR-TRE-66ac689e-57
0.360
MAR-TRE-4f781e27-39
0.360
MAR-TRE-4f781e27-73
0.360
MAR-TRE-66ac689e-49
0.360
MAR-TRE-799db12b-55
0.359
MAR-TRE-a9136c7b-93
0.358
MAR-TRE-e82e6c98-31
0.358
MAR-TRE-a9136c7b-77
0.358
MAR-TRE-8190bb11-91
0.356
MAR-TRE-e82e6c98-70
0.356
MAR-TRE-8190bb11-47
0.355
MAR-TRE-92684b97-80
0.355
MAR-TRE-9d18ae8c-85
0.355
MAR-TRE-9d18ae8c-87
0.355
MAR-TRE-799db12b-79
0.354
MAR-TRE-92684b97-32
0.353
MAR-TRE-66ac689e-3
0.351
MAR-TRE-8190bb11-54
0.351
MAR-TRE-e82e6c98-20
0.351
MAR-TRE-92684b97-75
0.351
MAR-TRE-92684b97-56
0.347
MAR-TRE-4f781e27-85
0.347
MAR-TRE-be9ff7d2-48
0.347
MAR-TRE-92684b97-27
0.347
MAR-TRE-92684b97-87
0.347
MAR-TRE-799db12b-47
0.346
MAR-TRE-a9136c7b-36
0.346
MAR-TRE-a9136c7b-70
0.346
MAR-TRE-66ac689e-36
0.345
MAR-TRE-a9136c7b-21
0.344
MAR-TRE-8190bb11-48
0.342
MAR-TRE-4f781e27-4
0.341
MAR-TRE-c317dd82-42
0.341
MAR-TRE-799db12b-95
0.338
MAR-TRE-a9136c7b-66
0.338
MAR-TRE-9d18ae8c-21
0.338
MAR-TRE-66ac689e-81
0.338
MAR-TRE-be9ff7d2-6
0.338
MAR-TRE-be9ff7d2-84
0.338
MAR-TRE-92684b97-85
0.338
MAR-TRE-799db12b-32
0.338
MAR-TRE-4f781e27-59
0.337
MAR-TRE-799db12b-85
0.337
MAR-TRE-799db12b-100
0.333