Molecular Properties | |
SMILES: | O=C(NC(c1ccc(Cl)c(F)c1)c1nnn[nH]1)c1cncnc1 |
MW: | 333.05 |
Fraction sp3: | 0.08 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 109.34 |
cLogP: | 1.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-a9136c7b-26
0.550
MAR-TRE-799db12b-96
0.542
MAR-TRE-799db12b-15
0.506
MAR-TRE-66ac689e-42
0.468
MAR-TRE-4f781e27-68
0.444
MAR-TRE-66ac689e-58
0.427
MAR-TRE-799db12b-61
0.423
MAR-TRE-92684b97-87
0.421
MAR-TRE-66ac689e-82
0.415
MAR-TRE-799db12b-55
0.412
MAR-TRE-a9136c7b-35
0.412
MAR-TRE-66ac689e-56
0.410
MAR-TRE-66ac689e-64
0.410
MAR-TRE-92684b97-15
0.407
MAR-TRE-8190bb11-54
0.405
MAR-TRE-9d18ae8c-92
0.402
MAR-TRE-92684b97-18
0.400
MAR-TRE-c317dd82-24
0.398
MAR-TRE-92684b97-16
0.395
MAR-TRE-92684b97-80
0.392
MAR-TRE-66ac689e-100
0.390
MAR-TRE-4f781e27-70
0.390
MAR-TRE-92684b97-77
0.388
MAR-TRE-92684b97-32
0.386
MAR-TRE-66ac689e-85
0.386
MAR-TRE-9d18ae8c-67
0.383
MAR-TRE-be9ff7d2-47
0.382
MAR-TRE-66ac689e-94
0.381
MAR-TRE-9d18ae8c-41
0.381
MAR-TRE-4f781e27-20
0.379
MAR-TRE-8190bb11-89
0.376
MAR-TRE-799db12b-79
0.373
MAR-TRE-e82e6c98-20
0.370
MAR-TRE-a9136c7b-55
0.369
MAR-TRE-9d18ae8c-37
0.369
MAR-TRE-8190bb11-67
0.368
MAR-TRE-9d18ae8c-4
0.368
MAR-TRE-9d18ae8c-26
0.367
MAR-TRE-a9136c7b-70
0.365
MAR-TRE-9d18ae8c-22
0.364
MAR-TRE-92684b97-12
0.363
MAR-TRE-8190bb11-59
0.362
MAR-TRE-66ac689e-49
0.362
MAR-TRE-9d18ae8c-1
0.360
MAR-TRE-a9136c7b-66
0.358
MAR-TRE-92684b97-1
0.356
MAR-TRE-a9136c7b-63
0.355
MAR-TRE-9d18ae8c-59
0.354
MAR-TRE-e82e6c98-43
0.354
MAR-TRE-66ac689e-62
0.354
MAR-TRE-92684b97-63
0.354
MAR-TRE-a9136c7b-48
0.354
MAR-TRE-799db12b-28
0.352
MAR-TRE-be9ff7d2-78
0.352
MAR-TRE-a9136c7b-36
0.349
MAR-TRE-799db12b-19
0.348
MAR-TRE-92684b97-35
0.346
MAR-TRE-66ac689e-80
0.345
MAR-TRE-66ac689e-93
0.345
MAR-TRE-66ac689e-79
0.345
MAR-TRE-a9136c7b-77
0.345
MAR-TRE-a9136c7b-93
0.345
MAR-TRE-799db12b-31
0.345
MAR-TRE-799db12b-95
0.342
MAR-TRE-8190bb11-91
0.342
MAR-TRE-a9136c7b-91
0.341
MAR-TRE-799db12b-32
0.341
MAR-TRE-66ac689e-68
0.341
MAR-TRE-4f781e27-45
0.341
MAR-TRE-a9136c7b-52
0.341
MAR-TRE-8190bb11-72
0.337
MAR-TRE-66ac689e-71
0.337
MAR-TRE-9d18ae8c-99
0.337
MAR-TRE-4f781e27-9
0.337
MAR-TRE-be9ff7d2-48
0.333
MAR-TRE-be9ff7d2-76
0.333
MAR-TRE-be9ff7d2-90
0.333
MAR-TRE-a9136c7b-21
0.333
MAR-TRE-66ac689e-95
0.333
MAR-TRE-4f781e27-51
0.333
MAR-TRE-799db12b-91
0.333
MAR-TRE-8190bb11-71
0.333
MAR-TRE-a9136c7b-49
0.333
MAR-TRE-4f781e27-4
0.330
MAR-TRE-66ac689e-92
0.330
MAR-TRE-a9136c7b-33
0.329
MAR-TRE-4f781e27-14
0.329
MAR-TRE-92684b97-17
0.329
MAR-TRE-4f781e27-73
0.329
MAR-TRE-8190bb11-28
0.329
MAR-TRE-e82e6c98-51
0.326
MAR-TRE-799db12b-8
0.326
MAR-TRE-4f781e27-59
0.326
MAR-TRE-66ac689e-81
0.326
MAR-TRE-9d18ae8c-87
0.325
MAR-TRE-e82e6c98-70
0.325
MAR-TRE-e82e6c98-46
0.322
MAR-TRE-66ac689e-48
0.322
MAR-TRE-799db12b-23
0.321
MAR-TRE-66ac689e-3
0.321