Molecular Properties | |
SMILES: | CN1C(=O)CC(NC(=O)c2cncnc2)C1c1ccc(Cl)c(F)c1 |
MW: | 348.08 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 75.19 |
cLogP: | 1.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-a9136c7b-95
0.789
MAR-TRE-a9136c7b-2
0.767
MAR-TRE-a9136c7b-47
0.595
MAR-TRE-a9136c7b-86
0.418
MAR-TRE-799db12b-96
0.393
MAR-TRE-a9136c7b-26
0.368
MAR-TRE-8190bb11-46
0.363
MAR-TRE-799db12b-61
0.360
MAR-TRE-799db12b-15
0.356
MAR-TRE-799db12b-58
0.355
MAR-TRE-92684b97-57
0.354
MAR-TRE-c317dd82-69
0.351
MAR-TRE-e82e6c98-33
0.347
MAR-TRE-e82e6c98-82
0.337
MAR-TRE-c317dd82-60
0.333
MAR-TRE-92684b97-28
0.333
MAR-TRE-e82e6c98-96
0.327
MAR-TRE-be9ff7d2-75
0.327
MAR-TRE-e82e6c98-53
0.326
MAR-TRE-a9136c7b-96
0.326
MAR-TRE-e82e6c98-28
0.326
MAR-TRE-c317dd82-51
0.323
MAR-TRE-66ac689e-56
0.323
MAR-TRE-66ac689e-64
0.323
MAR-TRE-66ac689e-16
0.322
MAR-TRE-8190bb11-62
0.322
MAR-TRE-799db12b-67
0.321
MAR-TRE-be9ff7d2-96
0.320
MAR-TRE-c317dd82-65
0.320
MAR-TRE-92684b97-32
0.320
MAR-TRE-799db12b-8
0.320
MAR-TRE-799db12b-7
0.319
MAR-TRE-92684b97-80
0.318
MAR-TRE-9d18ae8c-78
0.318
MAR-TRE-e82e6c98-86
0.316
MAR-TRE-e82e6c98-37
0.316
MAR-TRE-8190bb11-53
0.315
MAR-TRE-9d18ae8c-93
0.315
MAR-TRE-799db12b-92
0.313
MAR-TRE-4f781e27-18
0.312
MAR-TRE-66ac689e-82
0.312
MAR-TRE-c317dd82-18
0.311
MAR-TRE-e82e6c98-81
0.311
MAR-TRE-66ac689e-13
0.311
MAR-TRE-be9ff7d2-90
0.310
MAR-TRE-e82e6c98-69
0.310
MAR-TRE-92684b97-62
0.309
MAR-TRE-799db12b-55
0.308
MAR-TRE-a9136c7b-81
0.308
MAR-TRE-92684b97-39
0.308
MAR-TRE-799db12b-42
0.306
MAR-TRE-9d18ae8c-90
0.305
MAR-TRE-9d18ae8c-98
0.305
MAR-TRE-be9ff7d2-22
0.304
MAR-TRE-a9136c7b-91
0.304
MAR-TRE-8190bb11-41
0.304
MAR-TRE-be9ff7d2-80
0.304
MAR-TRE-a9136c7b-66
0.303
MAR-TRE-8190bb11-57
0.303
MAR-TRE-be9ff7d2-25
0.303
MAR-TRE-8190bb11-32
0.303
MAR-TRE-9d18ae8c-15
0.303
MAR-TRE-a9136c7b-64
0.302
MAR-TRE-c317dd82-14
0.302
MAR-TRE-66ac689e-6
0.301
MAR-TRE-c317dd82-77
0.301
MAR-TRE-e82e6c98-44
0.301
MAR-TRE-66ac689e-2
0.301
MAR-TRE-66ac689e-85
0.301
MAR-TRE-be9ff7d2-24
0.301
MAR-TRE-e82e6c98-49
0.300
MAR-TRE-8190bb11-54
0.300
MAR-TRE-a9136c7b-35
0.299
MAR-TRE-4f781e27-97
0.299
MAR-TRE-92684b97-31
0.298
MAR-TRE-799db12b-54
0.298
MAR-TRE-66ac689e-94
0.298
MAR-TRE-8190bb11-75
0.297
MAR-TRE-be9ff7d2-52
0.297
MAR-TRE-be9ff7d2-69
0.297
MAR-TRE-e82e6c98-65
0.297
MAR-TRE-8190bb11-36
0.297
MAR-TRE-92684b97-95
0.297
MAR-TRE-8190bb11-66
0.296
MAR-TRE-be9ff7d2-77
0.296
MAR-TRE-4f781e27-21
0.295
MAR-TRE-be9ff7d2-30
0.295
MAR-TRE-a9136c7b-61
0.295
MAR-TRE-a9136c7b-33
0.293
MAR-TRE-c317dd82-100
0.293
MAR-TRE-a9136c7b-15
0.293
MAR-TRE-8190bb11-84
0.293
MAR-TRE-be9ff7d2-53
0.293
MAR-TRE-e82e6c98-51
0.293
MAR-TRE-a9136c7b-52
0.293
MAR-TRE-8190bb11-28
0.292
MAR-TRE-8190bb11-42
0.292
MAR-TRE-c317dd82-44
0.292
MAR-TRE-a9136c7b-89
0.292
MAR-TRE-be9ff7d2-47
0.291