Molecular Properties | |
SMILES: | CC(C)(C)OCc1cccc(CNC(=O)c2cncnc2)c1 |
MW: | 299.16 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 64.11 |
cLogP: | 2.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-82
0.592
MAR-TRE-8190bb11-34
0.554
MAR-TRE-66ac689e-73
0.521
MAR-TRE-66ac689e-37
0.521
MAR-TRE-9d18ae8c-53
0.514
MAR-TRE-9d18ae8c-46
0.513
MAR-TRE-799db12b-33
0.513
MAR-TRE-799db12b-16
0.507
MAR-TRE-9d18ae8c-6
0.507
MAR-TRE-799db12b-27
0.507
MAR-TRE-9d18ae8c-43
0.494
MAR-TRE-799db12b-24
0.494
MAR-TRE-9d18ae8c-18
0.494
MAR-TRE-9d18ae8c-54
0.494
MAR-TRE-799db12b-3
0.494
MAR-TRE-92684b97-81
0.493
MAR-TRE-92684b97-6
0.487
MAR-TRE-66ac689e-33
0.487
MAR-TRE-8190bb11-80
0.487
MAR-TRE-9d18ae8c-52
0.487
MAR-TRE-9d18ae8c-30
0.487
MAR-TRE-66ac689e-1
0.481
MAR-TRE-92684b97-11
0.479
MAR-TRE-8190bb11-85
0.478
MAR-TRE-9d18ae8c-11
0.475
MAR-TRE-8190bb11-31
0.475
MAR-TRE-799db12b-69
0.475
MAR-TRE-8190bb11-8
0.475
MAR-TRE-799db12b-2
0.474
MAR-TRE-66ac689e-12
0.473
MAR-TRE-9d18ae8c-36
0.468
MAR-TRE-4f781e27-2
0.468
MAR-TRE-9d18ae8c-7
0.463
MAR-TRE-799db12b-51
0.457
MAR-TRE-be9ff7d2-17
0.453
MAR-TRE-799db12b-97
0.451
MAR-TRE-799db12b-14
0.451
MAR-TRE-66ac689e-54
0.451
MAR-TRE-9d18ae8c-34
0.451
MAR-TRE-9d18ae8c-49
0.446
MAR-TRE-9d18ae8c-65
0.446
MAR-TRE-9d18ae8c-10
0.446
MAR-TRE-8190bb11-13
0.444
MAR-TRE-799db12b-76
0.440
MAR-TRE-9d18ae8c-16
0.440
MAR-TRE-8190bb11-24
0.437
MAR-TRE-799db12b-18
0.435
MAR-TRE-799db12b-4
0.430
MAR-TRE-92684b97-78
0.429
MAR-TRE-a9136c7b-11
0.420
MAR-TRE-4f781e27-55
0.418
MAR-TRE-4f781e27-92
0.418
MAR-TRE-799db12b-9
0.416
MAR-TRE-799db12b-35
0.413
MAR-TRE-4f781e27-99
0.413
MAR-TRE-4f781e27-80
0.412
MAR-TRE-8190bb11-86
0.412
MAR-TRE-92684b97-54
0.410
MAR-TRE-8190bb11-50
0.408
MAR-TRE-4f781e27-88
0.407
MAR-TRE-c317dd82-55
0.403
MAR-TRE-be9ff7d2-67
0.400
MAR-TRE-8190bb11-42
0.400
MAR-TRE-4f781e27-83
0.398
MAR-TRE-4f781e27-48
0.398
MAR-TRE-9d18ae8c-89
0.395
MAR-TRE-8190bb11-82
0.392
MAR-TRE-92684b97-96
0.390
MAR-TRE-4f781e27-100
0.388
MAR-TRE-8190bb11-58
0.388
MAR-TRE-be9ff7d2-90
0.387
MAR-TRE-4f781e27-74
0.385
MAR-TRE-66ac689e-70
0.382
MAR-TRE-9d18ae8c-48
0.380
MAR-TRE-4f781e27-35
0.378
MAR-TRE-92684b97-53
0.378
MAR-TRE-66ac689e-21
0.378
MAR-TRE-8190bb11-83
0.376
MAR-TRE-8190bb11-81
0.375
MAR-TRE-9d18ae8c-74
0.375
MAR-TRE-66ac689e-98
0.375
MAR-TRE-66ac689e-26
0.375
MAR-TRE-9d18ae8c-81
0.373
MAR-TRE-e82e6c98-68
0.373
MAR-TRE-be9ff7d2-1
0.372
MAR-TRE-8190bb11-36
0.367
MAR-TRE-799db12b-84
0.367
MAR-TRE-e82e6c98-25
0.367
MAR-TRE-a9136c7b-31
0.367
MAR-TRE-92684b97-47
0.366
MAR-TRE-66ac689e-20
0.366
MAR-TRE-e82e6c98-91
0.366
MAR-TRE-8190bb11-40
0.366
MAR-TRE-a9136c7b-80
0.365
MAR-TRE-e82e6c98-57
0.364
MAR-TRE-4f781e27-32
0.364
MAR-TRE-66ac689e-69
0.364
MAR-TRE-8190bb11-62
0.364
MAR-TRE-a9136c7b-81
0.362
MAR-TRE-4f781e27-28
0.362