Molecular Properties | |
SMILES: | O=C(NC(Cn1cnc2cc(F)c(F)cc21)C(=O)O)c1cncnc1 |
MW: | 347.08 |
Fraction sp3: | 0.13 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 110.0 |
cLogP: | 0.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-93
0.463
MAR-TRE-e82e6c98-20
0.430
MAR-TRE-92684b97-49
0.409
MAR-TRE-92684b97-41
0.400
MAR-TRE-66ac689e-81
0.398
MAR-TRE-be9ff7d2-84
0.398
MAR-TRE-4f781e27-24
0.395
MAR-TRE-be9ff7d2-61
0.393
MAR-TRE-66ac689e-48
0.393
MAR-TRE-e82e6c98-100
0.390
MAR-TRE-8190bb11-48
0.388
MAR-TRE-92684b97-98
0.382
MAR-TRE-4f781e27-39
0.370
MAR-TRE-92684b97-8
0.370
MAR-TRE-4f781e27-56
0.368
MAR-TRE-be9ff7d2-21
0.360
MAR-TRE-66ac689e-87
0.360
MAR-TRE-be9ff7d2-10
0.359
MAR-TRE-4f781e27-93
0.356
MAR-TRE-8190bb11-17
0.356
MAR-TRE-c317dd82-41
0.346
MAR-TRE-c317dd82-21
0.346
MAR-TRE-799db12b-96
0.345
MAR-TRE-799db12b-61
0.345
MAR-TRE-e82e6c98-79
0.345
MAR-TRE-92684b97-5
0.344
MAR-TRE-66ac689e-19
0.344
MAR-TRE-8190bb11-23
0.344
MAR-TRE-be9ff7d2-9
0.344
MAR-TRE-92684b97-97
0.344
MAR-TRE-8190bb11-35
0.344
MAR-TRE-be9ff7d2-16
0.341
MAR-TRE-4f781e27-94
0.340
MAR-TRE-e82e6c98-72
0.337
MAR-TRE-a9136c7b-33
0.337
MAR-TRE-9d18ae8c-21
0.333
MAR-TRE-a9136c7b-46
0.333
MAR-TRE-799db12b-79
0.333
MAR-TRE-66ac689e-41
0.329
MAR-TRE-a9136c7b-35
0.326
MAR-TRE-a9136c7b-36
0.326
MAR-TRE-8190bb11-71
0.325
MAR-TRE-4f781e27-68
0.322
MAR-TRE-799db12b-55
0.322
MAR-TRE-92684b97-86
0.322
MAR-TRE-be9ff7d2-47
0.321
MAR-TRE-a9136c7b-52
0.319
MAR-TRE-66ac689e-68
0.318
MAR-TRE-a9136c7b-66
0.318
MAR-TRE-e82e6c98-70
0.317
MAR-TRE-9d18ae8c-26
0.316
MAR-TRE-85681e92-57
0.315
MAR-TRE-be9ff7d2-86
0.315
MAR-TRE-e82e6c98-71
0.314
MAR-TRE-e82e6c98-30
0.313
MAR-TRE-66ac689e-62
0.313
MAR-TRE-9d18ae8c-59
0.313
MAR-TRE-a9136c7b-58
0.312
MAR-TRE-c317dd82-24
0.311
MAR-TRE-66ac689e-97
0.311
MAR-TRE-799db12b-15
0.311
MAR-TRE-66ac689e-66
0.311
MAR-TRE-66ac689e-95
0.310
MAR-TRE-85681e92-40
0.310
MAR-TRE-9d18ae8c-67
0.310
MAR-TRE-92684b97-56
0.310
MAR-TRE-92684b97-50
0.310
MAR-TRE-e82e6c98-52
0.308
MAR-TRE-66ac689e-93
0.307
MAR-TRE-9d18ae8c-97
0.307
MAR-TRE-799db12b-12
0.306
MAR-TRE-8190bb11-42
0.306
MAR-TRE-92684b97-17
0.306
MAR-TRE-92684b97-35
0.306
MAR-TRE-8190bb11-28
0.306
MAR-TRE-8190bb11-59
0.306
MAR-TRE-66ac689e-45
0.304
MAR-TRE-66ac689e-100
0.303
MAR-TRE-92684b97-15
0.303
MAR-TRE-8190bb11-10
0.303
MAR-TRE-92684b97-51
0.302
MAR-TRE-92684b97-80
0.302
MAR-TRE-9d18ae8c-85
0.302
MAR-TRE-9d18ae8c-87
0.302
MAR-TRE-8190bb11-91
0.301
MAR-TRE-799db12b-95
0.301
MAR-TRE-e82e6c98-46
0.301
MAR-TRE-92684b97-18
0.301
MAR-TRE-8190bb11-70
0.301
MAR-TRE-9d18ae8c-50
0.301
MAR-TRE-a9136c7b-22
0.300
MAR-TRE-a9136c7b-55
0.300
MAR-TRE-66ac689e-84
0.300
MAR-TRE-66ac689e-85
0.300
MAR-TRE-e82e6c98-34
0.300
MAR-TRE-66ac689e-27
0.300
MAR-TRE-66ac689e-18
0.299
MAR-TRE-92684b97-77
0.299
MAR-TRE-8190bb11-97
0.299
MAR-TRE-8190bb11-54
0.299