Molecular Properties | |
SMILES: | COc1cccc(C(NC(=O)c2cncnc2)c2cccc(OC)c2)c1 |
MW: | 349.14 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 73.34 |
cLogP: | 3.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-20
0.820
MAR-TRE-799db12b-19
0.691
MAR-TRE-92684b97-12
0.691
MAR-TRE-66ac689e-93
0.677
MAR-TRE-66ac689e-97
0.621
MAR-TRE-92684b97-1
0.592
MAR-TRE-66ac689e-98
0.591
MAR-TRE-92684b97-29
0.588
MAR-TRE-9d18ae8c-19
0.583
MAR-TRE-799db12b-87
0.535
MAR-TRE-4f781e27-56
0.521
MAR-TRE-a9136c7b-78
0.521
MAR-TRE-9d18ae8c-4
0.507
MAR-TRE-9d18ae8c-24
0.500
MAR-TRE-a9136c7b-5
0.494
MAR-TRE-9d18ae8c-1
0.493
MAR-TRE-9d18ae8c-37
0.493
MAR-TRE-9d18ae8c-99
0.493
MAR-TRE-92684b97-32
0.487
MAR-TRE-8190bb11-70
0.486
MAR-TRE-8190bb11-67
0.486
MAR-TRE-4f781e27-9
0.481
MAR-TRE-799db12b-31
0.479
MAR-TRE-4f781e27-68
0.479
MAR-TRE-9d18ae8c-86
0.468
MAR-TRE-9d18ae8c-92
0.468
MAR-TRE-799db12b-28
0.467
MAR-TRE-9d18ae8c-22
0.461
MAR-TRE-a9136c7b-77
0.459
MAR-TRE-66ac689e-57
0.449
MAR-TRE-92684b97-18
0.447
MAR-TRE-4f781e27-14
0.444
MAR-TRE-9d18ae8c-26
0.443
MAR-TRE-92684b97-16
0.442
MAR-TRE-66ac689e-58
0.441
MAR-TRE-4f781e27-35
0.440
MAR-TRE-a9136c7b-98
0.438
MAR-TRE-4f781e27-45
0.438
MAR-TRE-8190bb11-10
0.438
MAR-TRE-66ac689e-68
0.438
MAR-TRE-9d18ae8c-3
0.438
MAR-TRE-66ac689e-18
0.437
MAR-TRE-4f781e27-71
0.434
MAR-TRE-8190bb11-58
0.432
MAR-TRE-799db12b-47
0.431
MAR-TRE-9d18ae8c-67
0.431
MAR-TRE-4f781e27-37
0.427
MAR-TRE-92684b97-14
0.427
MAR-TRE-be9ff7d2-64
0.427
MAR-TRE-4f781e27-51
0.427
MAR-TRE-a9136c7b-49
0.427
MAR-TRE-799db12b-46
0.425
MAR-TRE-799db12b-94
0.425
MAR-TRE-92684b97-86
0.425
MAR-TRE-a9136c7b-69
0.423
MAR-TRE-799db12b-90
0.423
MAR-TRE-a9136c7b-93
0.421
MAR-TRE-799db12b-32
0.419
MAR-TRE-799db12b-79
0.419
MAR-TRE-92684b97-85
0.419
MAR-TRE-be9ff7d2-3
0.417
MAR-TRE-66ac689e-41
0.417
MAR-TRE-8190bb11-71
0.414
MAR-TRE-66ac689e-84
0.413
MAR-TRE-799db12b-50
0.413
MAR-TRE-be9ff7d2-47
0.412
MAR-TRE-92684b97-84
0.410
MAR-TRE-be9ff7d2-49
0.408
MAR-TRE-8190bb11-59
0.408
MAR-TRE-8190bb11-28
0.408
MAR-TRE-92684b97-17
0.408
MAR-TRE-92684b97-35
0.408
MAR-TRE-a9136c7b-70
0.408
MAR-TRE-799db12b-80
0.408
MAR-TRE-799db12b-55
0.405
MAR-TRE-66ac689e-72
0.405
MAR-TRE-9d18ae8c-13
0.405
MAR-TRE-a9136c7b-35
0.405
MAR-TRE-9d18ae8c-80
0.403
MAR-TRE-92684b97-2
0.400
MAR-TRE-92684b97-92
0.400
MAR-TRE-9d18ae8c-60
0.397
MAR-TRE-a9136c7b-59
0.397
MAR-TRE-799db12b-85
0.395
MAR-TRE-799db12b-73
0.395
MAR-TRE-66ac689e-27
0.395
MAR-TRE-66ac689e-85
0.395
MAR-TRE-be9ff7d2-86
0.395
MAR-TRE-66ac689e-22
0.395
MAR-TRE-66ac689e-87
0.392
MAR-TRE-4f781e27-86
0.392
MAR-TRE-66ac689e-95
0.392
MAR-TRE-9d18ae8c-41
0.390
MAR-TRE-799db12b-58
0.388
MAR-TRE-66ac689e-42
0.387
MAR-TRE-799db12b-92
0.386
MAR-TRE-66ac689e-69
0.386
MAR-TRE-a9136c7b-26
0.386
MAR-TRE-66ac689e-56
0.385
MAR-TRE-66ac689e-92
0.385