Molecular Properties | |
SMILES: | O=C(NC(c1ccc(F)cc1)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-41
0.774
MAR-TRE-9d18ae8c-67
0.767
MAR-TRE-92684b97-18
0.687
MAR-TRE-92684b97-16
0.629
MAR-TRE-9d18ae8c-22
0.629
MAR-TRE-92684b97-12
0.595
MAR-TRE-66ac689e-100
0.588
MAR-TRE-66ac689e-58
0.578
MAR-TRE-92684b97-84
0.569
MAR-TRE-66ac689e-42
0.551
MAR-TRE-66ac689e-85
0.535
MAR-TRE-66ac689e-94
0.486
MAR-TRE-66ac689e-62
0.485
MAR-TRE-4f781e27-44
0.473
MAR-TRE-9d18ae8c-50
0.468
MAR-TRE-66ac689e-82
0.447
MAR-TRE-66ac689e-95
0.432
MAR-TRE-c317dd82-24
0.429
MAR-TRE-9d18ae8c-99
0.416
MAR-TRE-be9ff7d2-47
0.414
MAR-TRE-9d18ae8c-26
0.410
MAR-TRE-9d18ae8c-51
0.407
MAR-TRE-799db12b-58
0.407
MAR-TRE-92684b97-41
0.405
MAR-TRE-8190bb11-89
0.405
MAR-TRE-4f781e27-68
0.405
MAR-TRE-66ac689e-56
0.405
MAR-TRE-66ac689e-68
0.403
MAR-TRE-92684b97-49
0.398
MAR-TRE-799db12b-28
0.395
MAR-TRE-799db12b-15
0.392
MAR-TRE-4f781e27-51
0.392
MAR-TRE-a9136c7b-35
0.390
MAR-TRE-a9136c7b-33
0.390
MAR-TRE-799db12b-31
0.388
MAR-TRE-9d18ae8c-59
0.384
MAR-TRE-799db12b-96
0.382
MAR-TRE-799db12b-61
0.382
MAR-TRE-92684b97-77
0.382
MAR-TRE-a9136c7b-52
0.381
MAR-TRE-9d18ae8c-37
0.380
MAR-TRE-9d18ae8c-4
0.378
MAR-TRE-66ac689e-49
0.373
MAR-TRE-4f781e27-73
0.373
MAR-TRE-a9136c7b-26
0.372
MAR-TRE-66ac689e-64
0.370
MAR-TRE-a9136c7b-77
0.370
MAR-TRE-8190bb11-6
0.370
MAR-TRE-a9136c7b-93
0.370
MAR-TRE-8190bb11-91
0.370
MAR-TRE-e82e6c98-70
0.370
MAR-TRE-9d18ae8c-1
0.369
MAR-TRE-be9ff7d2-6
0.367
MAR-TRE-92684b97-85
0.367
MAR-TRE-92684b97-63
0.365
MAR-TRE-4f781e27-70
0.365
MAR-TRE-92684b97-32
0.365
MAR-TRE-92684b97-1
0.365
MAR-TRE-9d18ae8c-92
0.365
MAR-TRE-66ac689e-41
0.364
MAR-TRE-8190bb11-67
0.361
MAR-TRE-8190bb11-71
0.360
MAR-TRE-92684b97-56
0.360
MAR-TRE-799db12b-47
0.359
MAR-TRE-a9136c7b-49
0.358
MAR-TRE-4f781e27-20
0.357
MAR-TRE-66ac689e-36
0.357
MAR-TRE-799db12b-19
0.356
MAR-TRE-8190bb11-28
0.355
MAR-TRE-8190bb11-48
0.355
MAR-TRE-9d18ae8c-28
0.354
MAR-TRE-799db12b-55
0.354
MAR-TRE-4f781e27-4
0.354
MAR-TRE-c317dd82-42
0.354
MAR-TRE-799db12b-95
0.351
MAR-TRE-8190bb11-11
0.351
MAR-TRE-9d18ae8c-21
0.351
MAR-TRE-9d18ae8c-85
0.351
MAR-TRE-92684b97-51
0.351
MAR-TRE-92684b97-80
0.351
MAR-TRE-9d18ae8c-87
0.351
MAR-TRE-799db12b-79
0.350
MAR-TRE-9d18ae8c-60
0.349
MAR-TRE-799db12b-85
0.349
MAR-TRE-c317dd82-41
0.347
MAR-TRE-e82e6c98-30
0.347
MAR-TRE-8190bb11-5
0.347
MAR-TRE-92684b97-75
0.346
MAR-TRE-4f781e27-91
0.346
MAR-TRE-66ac689e-18
0.346
MAR-TRE-8190bb11-54
0.346
MAR-TRE-66ac689e-84
0.346
MAR-TRE-9d18ae8c-57
0.346
MAR-TRE-be9ff7d2-86
0.346
MAR-TRE-a9136c7b-55
0.346
MAR-TRE-4f781e27-9
0.345
MAR-TRE-92684b97-50
0.342
MAR-TRE-4f781e27-85
0.342
MAR-TRE-799db12b-91
0.342
MAR-TRE-be9ff7d2-48
0.342