Molecular Properties | |
SMILES: | O=C(NC(c1ccncc1)c1ccc(F)cc1)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-66ac689e-42
0.587
MAR-TRE-c317dd82-24
0.585
MAR-TRE-92684b97-15
0.578
MAR-TRE-66ac689e-85
0.569
MAR-TRE-66ac689e-100
0.554
MAR-TRE-66ac689e-94
0.537
MAR-TRE-66ac689e-62
0.516
MAR-TRE-e82e6c98-70
0.500
MAR-TRE-66ac689e-95
0.478
MAR-TRE-4f781e27-68
0.465
MAR-TRE-9d18ae8c-4
0.452
MAR-TRE-92684b97-41
0.448
MAR-TRE-92684b97-77
0.441
MAR-TRE-9d18ae8c-1
0.440
MAR-TRE-be9ff7d2-47
0.438
MAR-TRE-9d18ae8c-37
0.437
MAR-TRE-9d18ae8c-99
0.437
MAR-TRE-9d18ae8c-67
0.435
MAR-TRE-92684b97-1
0.434
MAR-TRE-9d18ae8c-92
0.434
MAR-TRE-4f781e27-39
0.433
MAR-TRE-9d18ae8c-41
0.431
MAR-TRE-799db12b-58
0.427
MAR-TRE-a9136c7b-77
0.425
MAR-TRE-8190bb11-89
0.425
MAR-TRE-66ac689e-56
0.425
MAR-TRE-4f781e27-70
0.424
MAR-TRE-92684b97-63
0.424
MAR-TRE-799db12b-61
0.420
MAR-TRE-799db12b-96
0.420
MAR-TRE-92684b97-18
0.413
MAR-TRE-799db12b-28
0.413
MAR-TRE-8190bb11-67
0.413
MAR-TRE-66ac689e-82
0.411
MAR-TRE-799db12b-15
0.411
MAR-TRE-9d18ae8c-26
0.410
MAR-TRE-799db12b-55
0.408
MAR-TRE-a9136c7b-35
0.408
MAR-TRE-4f781e27-20
0.408
MAR-TRE-9d18ae8c-87
0.406
MAR-TRE-66ac689e-64
0.405
MAR-TRE-799db12b-31
0.405
MAR-TRE-a9136c7b-26
0.405
MAR-TRE-9d18ae8c-59
0.403
MAR-TRE-799db12b-79
0.403
MAR-TRE-66ac689e-68
0.403
MAR-TRE-a9136c7b-52
0.397
MAR-TRE-be9ff7d2-86
0.397
MAR-TRE-799db12b-91
0.397
MAR-TRE-92684b97-84
0.395
MAR-TRE-4f781e27-51
0.392
MAR-TRE-66ac689e-49
0.391
MAR-TRE-4f781e27-73
0.391
MAR-TRE-9d18ae8c-22
0.390
MAR-TRE-a9136c7b-33
0.389
MAR-TRE-799db12b-95
0.388
MAR-TRE-a9136c7b-93
0.387
MAR-TRE-92684b97-80
0.386
MAR-TRE-9d18ae8c-21
0.386
MAR-TRE-9d18ae8c-85
0.386
MAR-TRE-799db12b-32
0.384
MAR-TRE-92684b97-85
0.384
MAR-TRE-8190bb11-5
0.382
MAR-TRE-e82e6c98-30
0.382
MAR-TRE-e82e6c98-43
0.382
MAR-TRE-92684b97-49
0.381
MAR-TRE-8190bb11-54
0.380
MAR-TRE-92684b97-75
0.380
MAR-TRE-92684b97-32
0.380
MAR-TRE-a9136c7b-55
0.378
MAR-TRE-4f781e27-85
0.377
MAR-TRE-92684b97-56
0.377
MAR-TRE-799db12b-47
0.375
MAR-TRE-a9136c7b-49
0.373
MAR-TRE-a9136c7b-70
0.373
MAR-TRE-92684b97-16
0.372
MAR-TRE-8190bb11-28
0.371
MAR-TRE-66ac689e-57
0.371
MAR-TRE-66ac689e-86
0.371
MAR-TRE-8190bb11-48
0.371
MAR-TRE-9d18ae8c-40
0.370
MAR-TRE-8190bb11-6
0.368
MAR-TRE-8190bb11-91
0.368
MAR-TRE-8190bb11-47
0.366
MAR-TRE-c317dd82-41
0.364
MAR-TRE-a9136c7b-46
0.364
MAR-TRE-799db12b-85
0.362
MAR-TRE-a9136c7b-48
0.361
MAR-TRE-66ac689e-3
0.361
MAR-TRE-66ac689e-18
0.361
MAR-TRE-799db12b-23
0.361
MAR-TRE-be9ff7d2-3
0.361
MAR-TRE-e82e6c98-20
0.361
MAR-TRE-8190bb11-72
0.361
MAR-TRE-799db12b-50
0.360
MAR-TRE-4f781e27-9
0.358
MAR-TRE-be9ff7d2-48
0.357
MAR-TRE-8190bb11-71
0.357
MAR-TRE-e82e6c98-54
0.357
MAR-TRE-a9136c7b-36
0.356