Molecular Properties | |
SMILES: | COc1ccc(C(NC(=O)c2cncnc2)C(=O)O)cc1F |
MW: | 305.08 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 101.41 |
cLogP: | 1.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-799db12b-96
0.641
MAR-TRE-66ac689e-93
0.597
MAR-TRE-799db12b-61
0.591
MAR-TRE-be9ff7d2-86
0.580
MAR-TRE-8190bb11-10
0.565
MAR-TRE-92684b97-80
0.552
MAR-TRE-a9136c7b-70
0.549
MAR-TRE-8190bb11-71
0.545
MAR-TRE-92684b97-35
0.537
MAR-TRE-8190bb11-28
0.537
MAR-TRE-8190bb11-59
0.537
MAR-TRE-92684b97-17
0.537
MAR-TRE-799db12b-55
0.529
MAR-TRE-8190bb11-54
0.522
MAR-TRE-799db12b-78
0.520
MAR-TRE-c317dd82-41
0.516
MAR-TRE-9d18ae8c-28
0.507
MAR-TRE-8190bb11-18
0.487
MAR-TRE-799db12b-32
0.479
MAR-TRE-a9136c7b-49
0.467
MAR-TRE-4f781e27-14
0.466
MAR-TRE-4f781e27-45
0.459
MAR-TRE-be9ff7d2-3
0.458
MAR-TRE-66ac689e-71
0.453
MAR-TRE-a9136c7b-36
0.452
MAR-TRE-92684b97-32
0.450
MAR-TRE-a9136c7b-66
0.444
MAR-TRE-9d18ae8c-85
0.444
MAR-TRE-e82e6c98-30
0.443
MAR-TRE-9d18ae8c-60
0.436
MAR-TRE-66ac689e-84
0.434
MAR-TRE-9d18ae8c-99
0.434
MAR-TRE-66ac689e-87
0.430
MAR-TRE-8190bb11-67
0.430
MAR-TRE-be9ff7d2-64
0.429
MAR-TRE-799db12b-95
0.429
MAR-TRE-8190bb11-91
0.429
MAR-TRE-9d18ae8c-64
0.425
MAR-TRE-a9136c7b-91
0.421
MAR-TRE-a9136c7b-98
0.421
MAR-TRE-66ac689e-18
0.419
MAR-TRE-92684b97-77
0.419
MAR-TRE-92684b97-50
0.417
MAR-TRE-92684b97-27
0.417
MAR-TRE-66ac689e-95
0.413
MAR-TRE-66ac689e-57
0.411
MAR-TRE-66ac689e-79
0.408
MAR-TRE-a9136c7b-35
0.407
MAR-TRE-4f781e27-56
0.405
MAR-TRE-4f781e27-68
0.405
MAR-TRE-66ac689e-58
0.403
MAR-TRE-4f781e27-70
0.403
MAR-TRE-92684b97-63
0.403
MAR-TRE-a9136c7b-46
0.400
MAR-TRE-799db12b-23
0.400
MAR-TRE-8190bb11-26
0.400
MAR-TRE-799db12b-5
0.397
MAR-TRE-799db12b-50
0.397
MAR-TRE-a9136c7b-13
0.395
MAR-TRE-799db12b-47
0.395
MAR-TRE-4f781e27-40
0.395
MAR-TRE-4f781e27-86
0.395
MAR-TRE-799db12b-15
0.392
MAR-TRE-66ac689e-97
0.392
MAR-TRE-799db12b-46
0.390
MAR-TRE-799db12b-94
0.390
MAR-TRE-66ac689e-80
0.390
MAR-TRE-799db12b-31
0.388
MAR-TRE-9d18ae8c-87
0.387
MAR-TRE-92684b97-92
0.386
MAR-TRE-e82e6c98-43
0.384
MAR-TRE-66ac689e-62
0.384
MAR-TRE-9d18ae8c-59
0.384
MAR-TRE-8190bb11-14
0.383
MAR-TRE-9d18ae8c-88
0.382
MAR-TRE-92684b97-1
0.381
MAR-TRE-9d18ae8c-8
0.380
MAR-TRE-92684b97-56
0.378
MAR-TRE-799db12b-28
0.378
MAR-TRE-92684b97-84
0.378
MAR-TRE-92684b97-71
0.377
MAR-TRE-4f781e27-9
0.376
MAR-TRE-c317dd82-24
0.375
MAR-TRE-be9ff7d2-97
0.375
MAR-TRE-799db12b-80
0.375
MAR-TRE-8190bb11-25
0.375
MAR-TRE-8190bb11-95
0.375
MAR-TRE-be9ff7d2-47
0.375
MAR-TRE-a9136c7b-58
0.373
MAR-TRE-a9136c7b-69
0.373
MAR-TRE-799db12b-58
0.373
MAR-TRE-4f781e27-20
0.373
MAR-TRE-4f781e27-39
0.373
MAR-TRE-8190bb11-48
0.373
MAR-TRE-a9136c7b-26
0.372
MAR-TRE-9d18ae8c-40
0.372
MAR-TRE-e82e6c98-14
0.370
MAR-TRE-e82e6c98-70
0.370
MAR-TRE-92684b97-2
0.369
MAR-TRE-92684b97-41
0.368