Molecular Properties | |
SMILES: | O=C(NC(c1cccc(F)c1)c1ccccn1)c1cncnc1 |
MW: | 308.11 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 67.77 |
cLogP: | 2.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-22
0.725
MAR-TRE-92684b97-16
0.725
MAR-TRE-92684b97-15
0.687
MAR-TRE-92684b97-12
0.685
MAR-TRE-9d18ae8c-67
0.682
MAR-TRE-9d18ae8c-41
0.620
MAR-TRE-92684b97-84
0.532
MAR-TRE-66ac689e-68
0.507
MAR-TRE-92684b97-77
0.447
MAR-TRE-4f781e27-44
0.443
MAR-TRE-9d18ae8c-50
0.439
MAR-TRE-66ac689e-42
0.418
MAR-TRE-4f781e27-20
0.417
MAR-TRE-4f781e27-68
0.415
MAR-TRE-799db12b-19
0.414
MAR-TRE-66ac689e-58
0.413
MAR-TRE-66ac689e-100
0.412
MAR-TRE-9d18ae8c-1
0.412
MAR-TRE-8190bb11-71
0.408
MAR-TRE-66ac689e-85
0.407
MAR-TRE-9d18ae8c-4
0.405
MAR-TRE-8190bb11-28
0.403
MAR-TRE-c317dd82-24
0.402
MAR-TRE-9d18ae8c-26
0.402
MAR-TRE-a9136c7b-33
0.400
MAR-TRE-a9136c7b-35
0.400
MAR-TRE-799db12b-58
0.400
MAR-TRE-66ac689e-41
0.392
MAR-TRE-92684b97-1
0.391
MAR-TRE-9d18ae8c-92
0.391
MAR-TRE-66ac689e-84
0.390
MAR-TRE-9d18ae8c-37
0.390
MAR-TRE-be9ff7d2-47
0.387
MAR-TRE-8190bb11-59
0.385
MAR-TRE-92684b97-17
0.385
MAR-TRE-92684b97-35
0.385
MAR-TRE-66ac689e-93
0.383
MAR-TRE-4f781e27-14
0.383
MAR-TRE-9d18ae8c-3
0.382
MAR-TRE-4f781e27-45
0.378
MAR-TRE-66ac689e-62
0.377
MAR-TRE-a9136c7b-52
0.375
MAR-TRE-799db12b-61
0.375
MAR-TRE-799db12b-96
0.375
MAR-TRE-92684b97-32
0.375
MAR-TRE-9d18ae8c-99
0.373
MAR-TRE-8190bb11-36
0.370
MAR-TRE-66ac689e-82
0.369
MAR-TRE-4f781e27-51
0.369
MAR-TRE-9d18ae8c-51
0.368
MAR-TRE-a9136c7b-26
0.367
MAR-TRE-66ac689e-72
0.366
MAR-TRE-92684b97-86
0.366
MAR-TRE-66ac689e-56
0.365
MAR-TRE-8190bb11-6
0.365
MAR-TRE-a9136c7b-77
0.365
MAR-TRE-a9136c7b-93
0.365
MAR-TRE-8190bb11-89
0.365
MAR-TRE-4f781e27-4
0.365
MAR-TRE-8190bb11-91
0.364
MAR-TRE-8190bb11-10
0.361
MAR-TRE-92684b97-85
0.361
MAR-TRE-c317dd82-41
0.360
MAR-TRE-be9ff7d2-86
0.357
MAR-TRE-799db12b-75
0.356
MAR-TRE-799db12b-28
0.356
MAR-TRE-9d18ae8c-62
0.354
MAR-TRE-66ac689e-94
0.353
MAR-TRE-799db12b-15
0.353
MAR-TRE-66ac689e-97
0.353
MAR-TRE-8190bb11-48
0.350
MAR-TRE-799db12b-55
0.349
MAR-TRE-9d18ae8c-28
0.349
MAR-TRE-66ac689e-92
0.349
MAR-TRE-92684b97-91
0.349
MAR-TRE-9d18ae8c-80
0.349
MAR-TRE-92684b97-98
0.348
MAR-TRE-9d18ae8c-9
0.348
MAR-TRE-e82e6c98-70
0.346
MAR-TRE-799db12b-95
0.346
MAR-TRE-8190bb11-11
0.346
MAR-TRE-be9ff7d2-6
0.345
MAR-TRE-66ac689e-81
0.345
MAR-TRE-799db12b-79
0.345
MAR-TRE-66ac689e-45
0.345
MAR-TRE-9d18ae8c-60
0.345
MAR-TRE-799db12b-12
0.344
MAR-TRE-e82e6c98-30
0.342
MAR-TRE-e82e6c98-43
0.342
MAR-TRE-66ac689e-22
0.341
MAR-TRE-66ac689e-27
0.341
MAR-TRE-799db12b-73
0.341
MAR-TRE-66ac689e-48
0.341
MAR-TRE-9d18ae8c-57
0.341
MAR-TRE-799db12b-36
0.341
MAR-TRE-4f781e27-9
0.341
MAR-TRE-92684b97-27
0.338
MAR-TRE-92684b97-50
0.338
MAR-TRE-66ac689e-95
0.337
MAR-TRE-799db12b-54
0.337