Molecular Properties | |
SMILES: | CC(=O)Nc1cccc(C(C)NC(=O)c2cncnc2)c1 |
MW: | 284.13 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 83.98 |
cLogP: | 1.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-9
0.727
MAR-TRE-799db12b-73
0.688
MAR-TRE-9d18ae8c-62
0.632
MAR-TRE-66ac689e-22
0.565
MAR-TRE-66ac689e-27
0.565
MAR-TRE-66ac689e-45
0.542
MAR-TRE-799db12b-32
0.529
MAR-TRE-799db12b-36
0.506
MAR-TRE-799db12b-45
0.500
MAR-TRE-799db12b-49
0.500
MAR-TRE-799db12b-100
0.479
MAR-TRE-8190bb11-5
0.471
MAR-TRE-4f781e27-59
0.461
MAR-TRE-92684b97-17
0.457
MAR-TRE-799db12b-82
0.455
MAR-TRE-4f781e27-14
0.452
MAR-TRE-a9136c7b-19
0.450
MAR-TRE-66ac689e-3
0.444
MAR-TRE-a9136c7b-13
0.434
MAR-TRE-8190bb11-71
0.423
MAR-TRE-9d18ae8c-54
0.418
MAR-TRE-8190bb11-59
0.417
MAR-TRE-8190bb11-28
0.417
MAR-TRE-92684b97-35
0.417
MAR-TRE-66ac689e-93
0.413
MAR-TRE-9d18ae8c-30
0.412
MAR-TRE-799db12b-16
0.410
MAR-TRE-8190bb11-10
0.408
MAR-TRE-4f781e27-45
0.408
MAR-TRE-92684b97-77
0.405
MAR-TRE-a9136c7b-8
0.405
MAR-TRE-66ac689e-37
0.403
MAR-TRE-66ac689e-84
0.403
MAR-TRE-799db12b-37
0.402
MAR-TRE-8190bb11-98
0.400
MAR-TRE-92684b97-86
0.395
MAR-TRE-799db12b-55
0.395
MAR-TRE-9d18ae8c-80
0.392
MAR-TRE-8190bb11-11
0.392
MAR-TRE-799db12b-99
0.390
MAR-TRE-92684b97-85
0.390
MAR-TRE-66ac689e-41
0.387
MAR-TRE-9d18ae8c-37
0.385
MAR-TRE-799db12b-39
0.385
MAR-TRE-66ac689e-77
0.383
MAR-TRE-9d18ae8c-53
0.380
MAR-TRE-66ac689e-97
0.380
MAR-TRE-66ac689e-57
0.378
MAR-TRE-4f781e27-20
0.378
MAR-TRE-9d18ae8c-28
0.377
MAR-TRE-a9136c7b-93
0.375
MAR-TRE-799db12b-27
0.375
MAR-TRE-799db12b-95
0.375
MAR-TRE-4f781e27-68
0.375
MAR-TRE-9d18ae8c-85
0.373
MAR-TRE-9d18ae8c-64
0.373
MAR-TRE-92684b97-80
0.373
MAR-TRE-66ac689e-68
0.372
MAR-TRE-c317dd82-41
0.371
MAR-TRE-8190bb11-14
0.370
MAR-TRE-9d18ae8c-60
0.370
MAR-TRE-4f781e27-71
0.370
MAR-TRE-9d18ae8c-59
0.370
MAR-TRE-e82e6c98-43
0.370
MAR-TRE-e82e6c98-30
0.370
MAR-TRE-4f781e27-70
0.370
MAR-TRE-92684b97-32
0.369
MAR-TRE-be9ff7d2-3
0.368
MAR-TRE-799db12b-23
0.368
MAR-TRE-4f781e27-29
0.368
MAR-TRE-9d18ae8c-99
0.367
MAR-TRE-e82e6c98-58
0.367
MAR-TRE-be9ff7d2-86
0.367
MAR-TRE-9d18ae8c-4
0.366
MAR-TRE-92684b97-18
0.366
MAR-TRE-a9136c7b-82
0.366
MAR-TRE-799db12b-33
0.366
MAR-TRE-799db12b-24
0.366
MAR-TRE-92684b97-50
0.365
MAR-TRE-799db12b-91
0.365
MAR-TRE-4f781e27-43
0.364
MAR-TRE-a9136c7b-70
0.362
MAR-TRE-66ac689e-8
0.362
MAR-TRE-66ac689e-66
0.362
MAR-TRE-9d18ae8c-22
0.361
MAR-TRE-a9136c7b-35
0.361
MAR-TRE-799db12b-86
0.361
MAR-TRE-8190bb11-90
0.361
MAR-TRE-be9ff7d2-47
0.361
MAR-TRE-9d18ae8c-3
0.360
MAR-TRE-799db12b-19
0.360
MAR-TRE-8190bb11-48
0.360
MAR-TRE-9d18ae8c-97
0.359
MAR-TRE-92684b97-29
0.358
MAR-TRE-a9136c7b-77
0.358
MAR-TRE-66ac689e-92
0.358
MAR-TRE-9d18ae8c-1
0.357
MAR-TRE-e82e6c98-70
0.356
MAR-TRE-8190bb11-91
0.356
MAR-TRE-9d18ae8c-21
0.355