Molecular Properties | |
SMILES: | COc1ccc(C(NC(=O)c2cncnc2)c2ccco2)cc1 |
MW: | 309.11 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 77.25 |
cLogP: | 2.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-8190bb11-67
0.547
MAR-TRE-799db12b-28
0.547
MAR-TRE-92684b97-1
0.545
MAR-TRE-66ac689e-57
0.514
MAR-TRE-66ac689e-18
0.500
MAR-TRE-799db12b-47
0.493
MAR-TRE-799db12b-46
0.486
MAR-TRE-799db12b-94
0.486
MAR-TRE-92684b97-77
0.479
MAR-TRE-799db12b-50
0.474
MAR-TRE-799db12b-80
0.468
MAR-TRE-a9136c7b-59
0.456
MAR-TRE-9d18ae8c-99
0.455
MAR-TRE-a9136c7b-69
0.444
MAR-TRE-4f781e27-51
0.430
MAR-TRE-66ac689e-93
0.429
MAR-TRE-4f781e27-9
0.429
MAR-TRE-4f781e27-20
0.427
MAR-TRE-be9ff7d2-47
0.417
MAR-TRE-92684b97-32
0.417
MAR-TRE-66ac689e-94
0.412
MAR-TRE-66ac689e-64
0.407
MAR-TRE-799db12b-19
0.407
MAR-TRE-92684b97-12
0.407
MAR-TRE-66ac689e-58
0.405
MAR-TRE-a9136c7b-98
0.405
MAR-TRE-be9ff7d2-68
0.405
MAR-TRE-799db12b-85
0.400
MAR-TRE-8190bb11-98
0.397
MAR-TRE-9d18ae8c-67
0.397
MAR-TRE-66ac689e-97
0.395
MAR-TRE-9d18ae8c-41
0.395
MAR-TRE-4f781e27-56
0.390
MAR-TRE-799db12b-41
0.390
MAR-TRE-9d18ae8c-87
0.390
MAR-TRE-799db12b-79
0.388
MAR-TRE-66ac689e-100
0.388
MAR-TRE-799db12b-32
0.388
MAR-TRE-92684b97-15
0.388
MAR-TRE-4f781e27-70
0.387
MAR-TRE-9d18ae8c-59
0.387
MAR-TRE-92684b97-63
0.387
MAR-TRE-9d18ae8c-60
0.386
MAR-TRE-be9ff7d2-3
0.385
MAR-TRE-66ac689e-85
0.383
MAR-TRE-9d18ae8c-4
0.381
MAR-TRE-92684b97-84
0.381
MAR-TRE-66ac689e-95
0.380
MAR-TRE-9d18ae8c-19
0.379
MAR-TRE-9d18ae8c-26
0.379
MAR-TRE-a9136c7b-70
0.378
MAR-TRE-be9ff7d2-64
0.378
MAR-TRE-66ac689e-82
0.378
MAR-TRE-a9136c7b-49
0.378
MAR-TRE-66ac689e-23
0.377
MAR-TRE-66ac689e-42
0.375
MAR-TRE-a9136c7b-26
0.375
MAR-TRE-66ac689e-56
0.373
MAR-TRE-a9136c7b-93
0.373
MAR-TRE-8190bb11-89
0.373
MAR-TRE-8190bb11-91
0.373
MAR-TRE-92684b97-2
0.372
MAR-TRE-92684b97-92
0.372
MAR-TRE-9d18ae8c-1
0.372
MAR-TRE-9d18ae8c-85
0.372
MAR-TRE-8190bb11-5
0.368
MAR-TRE-9d18ae8c-92
0.368
MAR-TRE-be9ff7d2-86
0.366
MAR-TRE-9d18ae8c-37
0.366
MAR-TRE-c317dd82-48
0.365
MAR-TRE-66ac689e-77
0.365
MAR-TRE-8190bb11-70
0.365
MAR-TRE-9d18ae8c-24
0.364
MAR-TRE-799db12b-84
0.362
MAR-TRE-92684b97-71
0.362
MAR-TRE-c317dd82-24
0.361
MAR-TRE-66ac689e-36
0.360
MAR-TRE-66ac689e-80
0.358
MAR-TRE-66ac689e-79
0.358
MAR-TRE-799db12b-55
0.358
MAR-TRE-4f781e27-14
0.358
MAR-TRE-9d18ae8c-28
0.358
MAR-TRE-9d18ae8c-40
0.358
MAR-TRE-a9136c7b-77
0.357
MAR-TRE-4f781e27-68
0.357
MAR-TRE-92684b97-29
0.357
MAR-TRE-92684b97-80
0.354
MAR-TRE-66ac689e-98
0.354
MAR-TRE-4f781e27-45
0.354
MAR-TRE-8190bb11-10
0.354
MAR-TRE-799db12b-87
0.353
MAR-TRE-92684b97-73
0.353
MAR-TRE-9d18ae8c-86
0.352
MAR-TRE-a9136c7b-13
0.352
MAR-TRE-66ac689e-62
0.351
MAR-TRE-799db12b-61
0.350
MAR-TRE-799db12b-96
0.350
MAR-TRE-66ac689e-3
0.350
MAR-TRE-8190bb11-72
0.350
MAR-TRE-799db12b-73
0.349