Molecular Properties | |
SMILES: | Cn1ccc(C(NC(=O)c2cncnc2)c2ccc(F)cc2)n1 |
MW: | 311.12 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 72.7 |
cLogP: | 1.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-82
0.774
MAR-TRE-92684b97-15
0.588
MAR-TRE-66ac689e-85
0.580
MAR-TRE-66ac689e-58
0.554
MAR-TRE-66ac689e-42
0.507
MAR-TRE-66ac689e-94
0.507
MAR-TRE-9d18ae8c-41
0.467
MAR-TRE-66ac689e-62
0.464
MAR-TRE-66ac689e-95
0.452
MAR-TRE-66ac689e-56
0.442
MAR-TRE-8190bb11-89
0.442
MAR-TRE-be9ff7d2-47
0.435
MAR-TRE-9d18ae8c-67
0.432
MAR-TRE-799db12b-28
0.430
MAR-TRE-a9136c7b-35
0.425
MAR-TRE-a9136c7b-77
0.423
MAR-TRE-a9136c7b-52
0.415
MAR-TRE-92684b97-18
0.412
MAR-TRE-c317dd82-24
0.410
MAR-TRE-92684b97-41
0.405
MAR-TRE-e82e6c98-31
0.405
MAR-TRE-9d18ae8c-99
0.397
MAR-TRE-c317dd82-97
0.395
MAR-TRE-9d18ae8c-22
0.390
MAR-TRE-799db12b-58
0.390
MAR-TRE-a9136c7b-93
0.388
MAR-TRE-799db12b-31
0.388
MAR-TRE-66ac689e-64
0.388
MAR-TRE-9d18ae8c-59
0.384
MAR-TRE-92684b97-49
0.382
MAR-TRE-799db12b-61
0.382
MAR-TRE-799db12b-96
0.382
MAR-TRE-92684b97-77
0.382
MAR-TRE-8190bb11-67
0.378
MAR-TRE-9d18ae8c-4
0.378
MAR-TRE-799db12b-15
0.375
MAR-TRE-4f781e27-51
0.375
MAR-TRE-92684b97-16
0.373
MAR-TRE-66ac689e-57
0.373
MAR-TRE-a9136c7b-26
0.372
MAR-TRE-92684b97-12
0.372
MAR-TRE-799db12b-19
0.372
MAR-TRE-799db12b-55
0.372
MAR-TRE-4f781e27-68
0.370
MAR-TRE-9d18ae8c-1
0.369
MAR-TRE-9d18ae8c-87
0.368
MAR-TRE-8190bb11-47
0.368
MAR-TRE-92684b97-80
0.368
MAR-TRE-9d18ae8c-85
0.368
MAR-TRE-799db12b-79
0.367
MAR-TRE-66ac689e-68
0.367
MAR-TRE-e82e6c98-30
0.365
MAR-TRE-8190bb11-5
0.365
MAR-TRE-4f781e27-70
0.365
MAR-TRE-92684b97-63
0.365
MAR-TRE-92684b97-1
0.365
MAR-TRE-92684b97-75
0.364
MAR-TRE-799db12b-12
0.364
MAR-TRE-be9ff7d2-86
0.362
MAR-TRE-9d18ae8c-37
0.362
MAR-TRE-92684b97-84
0.361
MAR-TRE-92684b97-56
0.360
MAR-TRE-799db12b-47
0.359
MAR-TRE-a9136c7b-49
0.358
MAR-TRE-a9136c7b-70
0.358
MAR-TRE-a9136c7b-58
0.357
MAR-TRE-66ac689e-36
0.357
MAR-TRE-4f781e27-73
0.355
MAR-TRE-66ac689e-49
0.355
MAR-TRE-66ac689e-86
0.355
MAR-TRE-799db12b-94
0.354
MAR-TRE-a9136c7b-33
0.354
MAR-TRE-9d18ae8c-21
0.351
MAR-TRE-92684b97-85
0.350
MAR-TRE-4f781e27-45
0.350
MAR-TRE-a9136c7b-46
0.349
MAR-TRE-66ac689e-45
0.349
MAR-TRE-9d18ae8c-92
0.349
MAR-TRE-92684b97-32
0.349
MAR-TRE-be9ff7d2-3
0.346
MAR-TRE-66ac689e-3
0.346
MAR-TRE-66ac689e-18
0.346
MAR-TRE-8190bb11-54
0.346
MAR-TRE-8190bb11-72
0.346
MAR-TRE-4f781e27-24
0.346
MAR-TRE-66ac689e-71
0.346
MAR-TRE-4f781e27-9
0.345
MAR-TRE-9d18ae8c-26
0.345
MAR-TRE-c317dd82-48
0.342
MAR-TRE-be9ff7d2-48
0.342
MAR-TRE-4f781e27-85
0.342
MAR-TRE-e82e6c98-100
0.342
MAR-TRE-92684b97-71
0.342
MAR-TRE-be9ff7d2-97
0.341
MAR-TRE-8190bb11-93
0.341
MAR-TRE-a9136c7b-12
0.341
MAR-TRE-a9136c7b-69
0.341
MAR-TRE-4f781e27-20
0.341
MAR-TRE-9d18ae8c-3
0.341
MAR-TRE-a9136c7b-21
0.341