Molecular Properties | |
SMILES: | O=C(CCN1CCOCC1)Nc1cc(NC(=O)c2cncnc2)ccc1F |
MW: | 373.16 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 96.45 |
cLogP: | 1.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-a9136c7b-11
0.545
MAR-TRE-799db12b-34
0.427
MAR-TRE-8190bb11-7
0.425
MAR-TRE-c317dd82-69
0.407
MAR-TRE-c317dd82-45
0.398
MAR-TRE-c317dd82-7
0.396
MAR-TRE-4f781e27-67
0.391
MAR-TRE-c317dd82-63
0.376
MAR-TRE-a9136c7b-65
0.366
MAR-TRE-c317dd82-27
0.364
MAR-TRE-e82e6c98-52
0.363
MAR-TRE-799db12b-40
0.362
MAR-TRE-8190bb11-100
0.362
MAR-TRE-c317dd82-81
0.359
SIM-DEM-2843056b-1
0.356
BEN-DND-93268d01-10
0.349
MAR-TRE-4f781e27-31
0.348
MAR-TRE-66ac689e-31
0.344
MAR-TRE-c317dd82-13
0.344
MAR-TRE-a9136c7b-16
0.343
MAR-TRE-66ac689e-2
0.341
MAR-TRE-8190bb11-4
0.340
MAR-TRE-e82e6c98-38
0.340
MAR-TRE-799db12b-43
0.337
MAR-TRE-4f781e27-12
0.333
MAR-TRE-c317dd82-10
0.333
MAR-TRE-9d18ae8c-7
0.333
MAR-TRE-c317dd82-35
0.333
MAR-TRE-9d18ae8c-58
0.330
MAR-TRE-66ac689e-51
0.330
MAR-TRE-8190bb11-65
0.330
MAR-TRE-be9ff7d2-46
0.326
MAR-TRE-799db12b-39
0.326
MAR-TRE-9d18ae8c-2
0.326
MAR-TRE-9d18ae8c-29
0.326
MAR-TRE-a9136c7b-38
0.324
MAR-TRE-c317dd82-22
0.324
MAR-TRE-9d18ae8c-10
0.323
MAR-TRE-c317dd82-16
0.323
MAR-TRE-a9136c7b-57
0.323
MAR-TRE-92684b97-55
0.323
MAR-TRE-c317dd82-18
0.322
MAR-TRE-be9ff7d2-16
0.322
MAR-TRE-c317dd82-96
0.322
MAR-TRE-a9136c7b-17
0.320
MAR-TRE-8190bb11-69
0.319
MAR-TRE-e82e6c98-80
0.318
MAR-TRE-799db12b-17
0.317
MAR-TRE-9d18ae8c-11
0.316
MAR-TRE-a9136c7b-42
0.316
MAR-TRE-799db12b-7
0.316
MAR-TRE-e82e6c98-50
0.315
MAR-TRE-66ac689e-88
0.315
MAR-TRE-9d18ae8c-15
0.315
MAR-TRE-799db12b-14
0.313
MAR-TRE-799db12b-3
0.312
MAR-TRE-9d18ae8c-18
0.312
MAR-TRE-799db12b-2
0.312
MAR-TRE-c317dd82-73
0.311
SAD-SAT-7d5528d9-1
0.310
MAR-TRE-8190bb11-39
0.309
MAR-TRE-4f781e27-47
0.309
MAR-TRE-4f781e27-2
0.309
MAR-TRE-9d18ae8c-53
0.309
MAR-TRE-a9136c7b-34
0.309
MAR-TRE-66ac689e-8
0.309
MAR-TRE-4f781e27-85
0.307
MAR-TRE-c317dd82-90
0.305
MAK-UNK-748f8b7a-11
0.305
MAR-TRE-c317dd82-91
0.304
MAR-TRE-8190bb11-42
0.303
MAR-LAB-ca4662a6-5
0.303
MAR-TRE-66ac689e-61
0.302
MAR-TRE-a9136c7b-89
0.302
MAR-TRE-66ac689e-76
0.302
MAR-TRE-a9136c7b-2
0.300
MAR-TRE-799db12b-64
0.300
MAR-TRE-66ac689e-37
0.298
MAR-TRE-c317dd82-56
0.297
MAR-TRE-4f781e27-1
0.297
MAR-TRE-799db12b-86
0.296
MAR-TRE-c317dd82-59
0.296
MAR-TRE-799db12b-54
0.295
MAR-TRE-4f781e27-43
0.293
MAR-TRE-9d18ae8c-9
0.293
MAR-TRE-799db12b-25
0.293
MAR-TRE-e82e6c98-47
0.292
MAR-TRE-c317dd82-4
0.292
MAR-TRE-799db12b-27
0.292
MAR-TRE-e82e6c98-1
0.290
MAR-TRE-799db12b-55
0.290
MAR-TRE-e82e6c98-33
0.290
MAR-TRE-9d18ae8c-77
0.290
MAR-TRE-799db12b-37
0.290
MAR-TRE-9d18ae8c-62
0.290
MAR-TRE-e82e6c98-74
0.289
MAR-TRE-66ac689e-40
0.289
MAR-TRE-66ac689e-7
0.289
SIM-DEM-2843056b-4
0.288
MAR-TRE-a9136c7b-31
0.288