Molecular Properties | |
SMILES: | O=C(NCC(Cc1cccc(F)c1)C(=O)O)c1cncnc1 |
MW: | 303.1 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 92.18 |
cLogP: | 1.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-47
0.712
MAR-TRE-92684b97-75
0.662
MAR-TRE-8190bb11-18
0.630
MAR-TRE-92684b97-72
0.580
MAR-TRE-4f781e27-36
0.577
MAR-TRE-8190bb11-76
0.494
MAR-TRE-92684b97-46
0.481
MAR-TRE-8190bb11-36
0.453
MAR-TRE-799db12b-75
0.432
MAR-TRE-4f781e27-56
0.425
MAR-TRE-9d18ae8c-10
0.424
MAR-TRE-66ac689e-98
0.423
MAR-TRE-8190bb11-68
0.410
MAR-TRE-9d18ae8c-7
0.405
MAR-TRE-799db12b-48
0.398
MAR-TRE-be9ff7d2-49
0.395
MAR-TRE-a9136c7b-5
0.391
MAR-TRE-e82e6c98-14
0.390
MAR-TRE-4f781e27-84
0.390
MAR-TRE-66ac689e-68
0.388
MAR-TRE-799db12b-87
0.386
MAR-TRE-92684b97-88
0.380
MAR-TRE-9d18ae8c-52
0.376
MAR-TRE-a9136c7b-78
0.376
MAR-TRE-92684b97-82
0.373
MAR-TRE-799db12b-16
0.373
MAR-TRE-9d18ae8c-43
0.368
MAR-TRE-9d18ae8c-11
0.368
MAR-TRE-9d18ae8c-86
0.368
MAR-TRE-799db12b-96
0.367
MAR-TRE-4f781e27-24
0.367
MAR-TRE-66ac689e-37
0.366
MAR-TRE-66ac689e-73
0.366
MAR-TRE-e82e6c98-56
0.366
MAR-TRE-9d18ae8c-18
0.365
MAR-TRE-9d18ae8c-54
0.365
MAR-TRE-8190bb11-70
0.365
MAR-TRE-799db12b-3
0.365
MAR-TRE-9d18ae8c-24
0.364
MAR-TRE-4f781e27-85
0.364
MAR-TRE-9d18ae8c-53
0.361
MAR-TRE-8190bb11-95
0.361
MAR-TRE-e82e6c98-91
0.361
MAR-TRE-799db12b-44
0.361
MAR-TRE-9d18ae8c-30
0.360
MAR-TRE-8190bb11-80
0.360
MAR-TRE-8190bb11-42
0.359
MAR-TRE-8190bb11-22
0.358
MAR-TRE-9d18ae8c-6
0.357
MAR-TRE-799db12b-27
0.357
MAR-TRE-4f781e27-49
0.355
MAR-TRE-799db12b-95
0.355
MAR-TRE-8190bb11-85
0.355
MAR-TRE-92684b97-41
0.354
MAR-TRE-92684b97-51
0.354
MAR-TRE-66ac689e-81
0.354
MAR-TRE-8190bb11-8
0.352
MAR-TRE-8190bb11-97
0.350
MAR-TRE-9d18ae8c-47
0.349
MAR-TRE-be9ff7d2-86
0.349
MAR-TRE-66ac689e-87
0.349
MAR-TRE-92684b97-18
0.349
MAR-TRE-799db12b-2
0.349
MAR-TRE-799db12b-24
0.349
MAR-TRE-799db12b-33
0.349
MAR-TRE-92684b97-6
0.348
MAR-TRE-9d18ae8c-19
0.348
MAR-TRE-92684b97-78
0.347
MAR-TRE-92684b97-66
0.346
MAR-TRE-be9ff7d2-90
0.346
MAR-TRE-be9ff7d2-43
0.346
MAR-TRE-92684b97-81
0.345
MAR-TRE-799db12b-54
0.345
MAR-TRE-66ac689e-33
0.345
MAR-TRE-4f781e27-2
0.345
MAR-TRE-be9ff7d2-37
0.345
MAR-TRE-9d18ae8c-91
0.344
MAR-TRE-92684b97-10
0.343
MAR-TRE-8190bb11-59
0.342
MAR-TRE-799db12b-66
0.341
MAR-TRE-a9136c7b-33
0.341
MAR-TRE-9d18ae8c-48
0.341
MAR-TRE-c317dd82-76
0.341
MAR-TRE-4f781e27-77
0.341
MAR-TRE-9d18ae8c-1
0.341
MAR-TRE-66ac689e-1
0.341
MAR-TRE-be9ff7d2-7
0.341
MAR-TRE-8190bb11-24
0.338
MAR-TRE-4f781e27-99
0.338
MAR-TRE-9d18ae8c-87
0.338
MAR-TRE-c317dd82-63
0.338
MAR-TRE-e82e6c98-12
0.337
MAR-TRE-a9136c7b-28
0.337
MAR-TRE-66ac689e-34
0.337
MAR-TRE-e82e6c98-95
0.337
MAR-TRE-4f781e27-82
0.337
MAR-TRE-8190bb11-31
0.337
MAR-TRE-be9ff7d2-57
0.337
MAR-TRE-799db12b-51
0.337
MAR-TRE-66ac689e-74
0.333