Molecular Properties | |
SMILES: | COc1ccc(CC(CNC(=O)c2cncnc2)C(=O)O)cc1F |
MW: | 333.11 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 101.41 |
cLogP: | 1.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-91
0.630
MAR-TRE-92684b97-75
0.614
MAR-TRE-92684b97-72
0.583
MAR-TRE-8190bb11-76
0.577
MAR-TRE-92684b97-47
0.573
MAR-TRE-4f781e27-36
0.560
MAR-TRE-8190bb11-68
0.506
MAR-TRE-799db12b-79
0.487
MAR-TRE-66ac689e-87
0.440
MAR-TRE-8190bb11-95
0.439
MAR-TRE-92684b97-46
0.435
MAR-TRE-e82e6c98-14
0.434
MAR-TRE-be9ff7d2-86
0.427
MAR-TRE-4f781e27-84
0.418
MAR-TRE-be9ff7d2-49
0.405
MAR-TRE-4f781e27-56
0.400
MAR-TRE-66ac689e-98
0.398
MAR-TRE-92684b97-88
0.390
MAR-TRE-799db12b-32
0.381
MAR-TRE-799db12b-87
0.379
MAR-TRE-a9136c7b-49
0.372
MAR-TRE-a9136c7b-78
0.371
MAR-TRE-66ac689e-11
0.371
MAR-TRE-a9136c7b-5
0.370
MAR-TRE-92684b97-92
0.367
MAR-TRE-92684b97-10
0.366
MAR-TRE-e82e6c98-76
0.366
MAR-TRE-be9ff7d2-7
0.366
MAR-TRE-8190bb11-49
0.365
MAR-TRE-be9ff7d2-3
0.361
MAR-TRE-8190bb11-97
0.361
MAR-TRE-4f781e27-24
0.361
MAR-TRE-799db12b-96
0.361
MAR-TRE-4f781e27-58
0.360
MAR-TRE-799db12b-5
0.360
MAR-TRE-92684b97-78
0.359
MAR-TRE-e82e6c98-77
0.358
MAR-TRE-799db12b-84
0.357
MAR-TRE-a9136c7b-70
0.356
MAR-TRE-8190bb11-42
0.354
MAR-TRE-8190bb11-86
0.352
MAR-TRE-92684b97-82
0.352
MAR-TRE-8190bb11-85
0.350
MAR-TRE-8190bb11-24
0.350
MAR-TRE-92684b97-41
0.349
MAR-TRE-9d18ae8c-87
0.349
MAR-TRE-4f781e27-99
0.349
MAR-TRE-4f781e27-16
0.349
MAR-TRE-66ac689e-81
0.349
MAR-TRE-92684b97-96
0.348
MAR-TRE-92684b97-32
0.348
MAR-TRE-e82e6c98-56
0.345
MAR-TRE-e82e6c98-58
0.345
MAR-TRE-9d18ae8c-99
0.345
MAR-TRE-8190bb11-70
0.344
MAR-TRE-9d18ae8c-24
0.344
MAR-TRE-4f781e27-85
0.341
MAR-TRE-8190bb11-13
0.341
MAR-TRE-8190bb11-78
0.341
MAR-TRE-92684b97-11
0.341
MAR-TRE-85681e92-40
0.341
MAR-TRE-be9ff7d2-64
0.341
MAR-TRE-799db12b-77
0.341
MAR-TRE-8190bb11-17
0.341
MAR-TRE-799db12b-78
0.341
MAR-TRE-4f781e27-83
0.341
MAR-TRE-be9ff7d2-47
0.338
MAR-TRE-66ac689e-93
0.337
MAR-TRE-66ac689e-12
0.337
MAR-TRE-be9ff7d2-5
0.333
MAR-TRE-c317dd82-63
0.333
MAR-TRE-799db12b-35
0.333
MAR-TRE-8190bb11-10
0.333
MAR-TRE-92684b97-51
0.333
MAR-TRE-9d18ae8c-89
0.333
MAR-TRE-92684b97-54
0.333
MAR-TRE-9d18ae8c-86
0.333
MAR-TRE-a9136c7b-46
0.333
MAR-TRE-a9136c7b-98
0.333
MAR-TRE-799db12b-12
0.333
MAR-TRE-a9136c7b-31
0.330
MAR-TRE-be9ff7d2-73
0.330
MAR-TRE-66ac689e-19
0.330
MAR-TRE-8190bb11-23
0.330
MAR-TRE-9d18ae8c-19
0.330
MAR-TRE-8190bb11-67
0.330
MAR-TRE-799db12b-33
0.330
MAR-TRE-799db12b-75
0.330
MAR-TRE-799db12b-48
0.330
MAR-TRE-92684b97-77
0.329
MAR-TRE-799db12b-61
0.329
MAR-TRE-e82e6c98-20
0.329
MAR-TRE-66ac689e-18
0.329
MAR-TRE-a9136c7b-22
0.327
MAR-TRE-66ac689e-69
0.326
MAR-TRE-4f781e27-18
0.326
MAR-TRE-9d18ae8c-52
0.326
MAR-TRE-66ac689e-97
0.326
MAR-TRE-92684b97-14
0.326
MAR-TRE-799db12b-44
0.326