Molecular Properties | |
SMILES: | O=C(NC(C(=O)O)c1ccc(F)c(Cl)c1F)c1cncnc1 |
MW: | 327.02 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 92.18 |
cLogP: | 1.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
halogenated ring
MAR-TRE-a9136c7b-66
0.594
MAR-TRE-8190bb11-91
0.556
MAR-TRE-799db12b-23
0.537
MAR-TRE-799db12b-61
0.537
MAR-TRE-799db12b-96
0.515
MAR-TRE-9d18ae8c-64
0.500
MAR-TRE-92684b97-27
0.493
MAR-TRE-92684b97-50
0.493
MAR-TRE-be9ff7d2-86
0.486
MAR-TRE-8190bb11-59
0.485
MAR-TRE-799db12b-95
0.485
MAR-TRE-c317dd82-41
0.462
MAR-TRE-92684b97-80
0.457
MAR-TRE-a9136c7b-91
0.452
MAR-TRE-799db12b-79
0.452
MAR-TRE-8190bb11-54
0.451
MAR-TRE-e82e6c98-20
0.451
MAR-TRE-9d18ae8c-8
0.446
MAR-TRE-8190bb11-25
0.440
MAR-TRE-e82e6c98-30
0.435
MAR-TRE-8190bb11-71
0.429
MAR-TRE-92684b97-17
0.423
MAR-TRE-8190bb11-28
0.423
MAR-TRE-92684b97-35
0.423
MAR-TRE-799db12b-55
0.419
MAR-TRE-4f781e27-70
0.414
MAR-TRE-a9136c7b-48
0.411
MAR-TRE-9d18ae8c-28
0.400
MAR-TRE-66ac689e-93
0.400
MAR-TRE-8190bb11-10
0.395
MAR-TRE-e82e6c98-43
0.394
MAR-TRE-9d18ae8c-88
0.392
MAR-TRE-92684b97-32
0.390
MAR-TRE-66ac689e-49
0.384
MAR-TRE-a9136c7b-33
0.382
MAR-TRE-92684b97-41
0.378
MAR-TRE-66ac689e-81
0.377
MAR-TRE-66ac689e-62
0.375
MAR-TRE-be9ff7d2-61
0.372
MAR-TRE-66ac689e-77
0.370
MAR-TRE-4f781e27-86
0.368
MAR-TRE-4f781e27-40
0.368
MAR-TRE-c317dd82-24
0.367
MAR-TRE-a9136c7b-70
0.367
MAR-TRE-799db12b-15
0.367
MAR-TRE-66ac689e-82
0.367
MAR-TRE-be9ff7d2-47
0.366
MAR-TRE-a9136c7b-58
0.366
MAR-TRE-66ac689e-79
0.364
MAR-TRE-66ac689e-80
0.364
MAR-TRE-66ac689e-56
0.362
MAR-TRE-66ac689e-64
0.362
MAR-TRE-66ac689e-92
0.362
MAR-TRE-a9136c7b-20
0.360
MAR-TRE-9d18ae8c-85
0.360
MAR-TRE-be9ff7d2-84
0.359
MAR-TRE-a9136c7b-46
0.358
MAR-TRE-66ac689e-61
0.358
MAR-TRE-9d18ae8c-92
0.357
MAR-TRE-66ac689e-58
0.356
MAR-TRE-9d18ae8c-59
0.356
MAR-TRE-66ac689e-48
0.354
MAR-TRE-a9136c7b-55
0.354
MAR-TRE-be9ff7d2-78
0.353
MAR-TRE-4f781e27-9
0.353
MAR-TRE-be9ff7d2-48
0.351
MAR-TRE-799db12b-91
0.351
MAR-TRE-66ac689e-95
0.351
MAR-TRE-92684b97-72
0.351
MAR-TRE-be9ff7d2-97
0.350
MAR-TRE-799db12b-58
0.349
MAR-TRE-4f781e27-39
0.347
MAR-TRE-8190bb11-48
0.347
MAR-TRE-4f781e27-14
0.346
MAR-TRE-66ac689e-42
0.346
MAR-TRE-9d18ae8c-97
0.346
MAR-TRE-4f781e27-68
0.346
MAR-TRE-e82e6c98-70
0.342
MAR-TRE-92684b97-51
0.342
MAR-TRE-9d18ae8c-87
0.342
MAR-TRE-e82e6c98-13
0.342
MAR-TRE-be9ff7d2-68
0.342
MAR-TRE-4f781e27-45
0.342
MAR-TRE-a9136c7b-98
0.342
MAR-TRE-8190bb11-14
0.341
MAR-TRE-8190bb11-26
0.341
MAR-TRE-a9136c7b-52
0.341
MAR-TRE-92684b97-63
0.338
MAR-TRE-4f781e27-24
0.338
MAR-TRE-66ac689e-71
0.338
MAR-TRE-799db12b-50
0.338
MAR-TRE-66ac689e-84
0.338
MAR-TRE-9d18ae8c-99
0.338
MAR-TRE-9d18ae8c-17
0.337
MAR-TRE-e82e6c98-88
0.337
MAR-TRE-8190bb11-67
0.337
MAR-TRE-92684b97-5
0.337
MAR-TRE-66ac689e-19
0.337
MAR-TRE-c317dd82-48
0.333
MAR-TRE-8190bb11-17
0.333