Molecular Properties | |
SMILES: | COC(=O)CCC(NC(=O)c1cncnc1)c1ccc(OC)cc1 |
MW: | 329.14 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 90.41 |
cLogP: | 1.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
Long aliphatic chain
MAR-TRE-799db12b-50
0.790
MAR-TRE-799db12b-47
0.742
MAR-TRE-799db12b-46
0.703
MAR-TRE-66ac689e-18
0.672
MAR-TRE-66ac689e-57
0.667
MAR-TRE-a9136c7b-59
0.629
MAR-TRE-799db12b-94
0.627
MAR-TRE-a9136c7b-69
0.589
MAR-TRE-66ac689e-79
0.557
MAR-TRE-66ac689e-80
0.535
MAR-TRE-9d18ae8c-40
0.535
MAR-TRE-66ac689e-49
0.522
MAR-TRE-66ac689e-95
0.521
MAR-TRE-92684b97-71
0.521
MAR-TRE-66ac689e-62
0.515
MAR-TRE-4f781e27-73
0.500
MAR-TRE-9d18ae8c-21
0.472
MAR-TRE-9d18ae8c-59
0.471
MAR-TRE-799db12b-31
0.468
MAR-TRE-92684b97-56
0.465
MAR-TRE-92684b97-2
0.463
MAR-TRE-a9136c7b-55
0.461
MAR-TRE-799db12b-28
0.456
MAR-TRE-8190bb11-67
0.456
MAR-TRE-66ac689e-97
0.455
MAR-TRE-c317dd82-94
0.453
MAR-TRE-9d18ae8c-24
0.451
MAR-TRE-66ac689e-92
0.449
MAR-TRE-92684b97-85
0.447
MAR-TRE-be9ff7d2-48
0.444
MAR-TRE-92684b97-1
0.439
MAR-TRE-e82e6c98-70
0.437
MAR-TRE-a9136c7b-49
0.436
MAR-TRE-8190bb11-11
0.432
MAR-TRE-8190bb11-47
0.432
MAR-TRE-92684b97-68
0.427
MAR-TRE-a9136c7b-46
0.425
MAR-TRE-4f781e27-71
0.425
MAR-TRE-e82e6c98-46
0.420
MAR-TRE-799db12b-15
0.418
MAR-TRE-9d18ae8c-19
0.417
MAR-TRE-a9136c7b-98
0.410
MAR-TRE-e82e6c98-13
0.410
MAR-TRE-66ac689e-68
0.410
MAR-TRE-92684b97-92
0.410
MAR-TRE-92684b97-77
0.408
MAR-TRE-9d18ae8c-99
0.405
MAR-TRE-799db12b-84
0.403
MAR-TRE-66ac689e-23
0.400
MAR-TRE-66ac689e-93
0.397
MAR-TRE-92684b97-86
0.397
MAR-TRE-4f781e27-56
0.395
MAR-TRE-4f781e27-4
0.395
MAR-TRE-799db12b-41
0.395
MAR-TRE-9d18ae8c-85
0.395
MAR-TRE-799db12b-32
0.392
MAR-TRE-8190bb11-38
0.390
MAR-TRE-92684b97-93
0.388
MAR-TRE-66ac689e-87
0.386
MAR-TRE-8190bb11-70
0.386
MAR-TRE-be9ff7d2-64
0.383
MAR-TRE-8190bb11-93
0.381
MAR-TRE-8190bb11-90
0.381
MAR-TRE-4f781e27-20
0.381
MAR-TRE-9d18ae8c-97
0.380
MAR-TRE-8190bb11-6
0.378
MAR-TRE-9d18ae8c-87
0.377
MAR-TRE-799db12b-79
0.375
MAR-TRE-9d18ae8c-60
0.373
MAR-TRE-4f781e27-70
0.373
MAR-TRE-92684b97-32
0.372
MAR-TRE-66ac689e-41
0.372
MAR-TRE-4f781e27-91
0.372
MAR-TRE-be9ff7d2-3
0.372
MAR-TRE-a9136c7b-13
0.371
MAR-TRE-c317dd82-48
0.370
MAR-TRE-66ac689e-89
0.369
MAR-TRE-92684b97-87
0.368
MAR-TRE-a9136c7b-70
0.366
MAR-TRE-a9136c7b-71
0.365
MAR-TRE-a9136c7b-58
0.365
MAR-TRE-799db12b-78
0.365
MAR-TRE-9d18ae8c-51
0.365
MAR-TRE-8190bb11-48
0.364
MAR-TRE-be9ff7d2-49
0.364
MAR-TRE-a9136c7b-33
0.362
MAR-TRE-799db12b-55
0.362
MAR-TRE-9d18ae8c-80
0.361
MAR-TRE-85681e92-91
0.360
MAR-TRE-66ac689e-98
0.358
MAR-TRE-92684b97-54
0.358
MAR-TRE-9d18ae8c-94
0.357
MAR-TRE-799db12b-87
0.357
MAR-TRE-9d18ae8c-86
0.356
MAR-TRE-66ac689e-58
0.355
MAR-TRE-8190bb11-5
0.355
MAR-TRE-92684b97-63
0.355
MAR-TRE-e82e6c98-9
0.354
MAR-TRE-e82e6c98-71
0.354
MAR-TRE-8190bb11-72
0.354