Molecular Properties | |
SMILES: | CC(C)(C)OC(=O)C1CC(NC(=O)c2cncnc2)c2ccccc21 |
MW: | 339.16 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 81.18 |
cLogP: | 2.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
Ester
MAR-TRE-9d18ae8c-90
0.427
MAR-TRE-92684b97-28
0.410
MAR-TRE-66ac689e-70
0.385
MAR-TRE-c317dd82-46
0.375
MAR-TRE-c317dd82-14
0.356
MAR-TRE-9d18ae8c-79
0.349
MAR-TRE-9d18ae8c-78
0.346
MAR-TRE-92684b97-20
0.345
MAR-TRE-9d18ae8c-72
0.342
MAR-TRE-799db12b-44
0.337
MAR-TRE-a9136c7b-47
0.337
MAR-TRE-4f781e27-18
0.337
MAR-TRE-4f781e27-32
0.333
MAR-TRE-8190bb11-62
0.333
MAR-TRE-8190bb11-75
0.333
MAR-TRE-92684b97-7
0.333
MAR-TRE-8190bb11-41
0.329
MAR-TRE-8190bb11-85
0.329
MAR-TRE-be9ff7d2-62
0.326
MAR-TRE-8190bb11-58
0.326
MAR-TRE-799db12b-92
0.323
MAR-TRE-9d18ae8c-13
0.322
MAR-TRE-9d18ae8c-32
0.322
MAR-TRE-a9136c7b-96
0.322
MAR-TRE-92684b97-14
0.322
MAR-TRE-92684b97-76
0.321
MAR-TRE-e82e6c98-81
0.321
MAR-TRE-92684b97-61
0.318
MAR-TRE-92684b97-39
0.318
MAR-TRE-66ac689e-23
0.317
MAR-TRE-66ac689e-86
0.317
MAR-TRE-c317dd82-88
0.316
MAR-TRE-92684b97-57
0.316
MAR-TRE-c317dd82-44
0.315
MAR-TRE-8190bb11-46
0.315
MAR-TRE-9d18ae8c-38
0.315
MAR-TRE-799db12b-7
0.315
MAR-TRE-66ac689e-67
0.315
MAR-TRE-799db12b-41
0.313
MAR-TRE-66ac689e-75
0.312
MAR-TRE-e82e6c98-86
0.312
MAR-TRE-a9136c7b-2
0.312
MAR-TRE-a9136c7b-86
0.312
MAR-TRE-9d18ae8c-99
0.310
MAR-TRE-c317dd82-82
0.310
MAR-TRE-799db12b-90
0.308
MAR-TRE-c317dd82-6
0.307
MAR-TRE-799db12b-70
0.307
MAR-TRE-be9ff7d2-97
0.307
MAR-TRE-4f781e27-40
0.306
MAR-TRE-4f781e27-74
0.306
MAR-TRE-4f781e27-86
0.306
MAR-TRE-e82e6c98-65
0.306
MAR-TRE-8190bb11-36
0.306
MAR-TRE-be9ff7d2-69
0.306
MAR-TRE-a9136c7b-95
0.304
MAR-TRE-9d18ae8c-39
0.304
MAR-TRE-799db12b-89
0.303
MAR-TRE-92684b97-62
0.303
MAR-TRE-799db12b-66
0.302
MAR-TRE-92684b97-83
0.302
MAR-TRE-9d18ae8c-25
0.302
MAR-TRE-c317dd82-76
0.302
MAR-TRE-8190bb11-42
0.301
MAR-TRE-be9ff7d2-53
0.301
MAR-TRE-e82e6c98-33
0.301
MAR-TRE-92684b97-32
0.301
MAR-TRE-66ac689e-29
0.300
MAR-TRE-a9136c7b-89
0.300
MAR-TRE-9d18ae8c-61
0.300
MAR-TRE-92684b97-45
0.300
MAR-TRE-9d18ae8c-98
0.300
MAR-TRE-e82e6c98-21
0.299
MAR-TRE-a9136c7b-91
0.299
MAR-TRE-92684b97-54
0.299
MAR-TRE-799db12b-65
0.298
MAR-TRE-9d18ae8c-15
0.298
MAR-TRE-9d18ae8c-85
0.298
MAR-TRE-c317dd82-8
0.298
MAR-TRE-4f781e27-89
0.297
MAR-TRE-799db12b-75
0.297
MAR-TRE-9d18ae8c-17
0.297
MAR-TRE-e82e6c98-41
0.296
MAR-TRE-4f781e27-78
0.296
MAR-TRE-8190bb11-91
0.296
MAR-TRE-92684b97-44
0.295
MAR-TRE-9d18ae8c-2
0.295
MAR-TRE-c317dd82-34
0.295
MAR-TRE-8190bb11-92
0.295
MAR-TRE-e82e6c98-9
0.294
MAR-TRE-e82e6c98-53
0.293
MAR-TRE-be9ff7d2-65
0.293
MAR-TRE-4f781e27-51
0.292
MAR-TRE-e82e6c98-28
0.292
MAR-TRE-be9ff7d2-28
0.292
MAR-TRE-be9ff7d2-42
0.291
MAR-TRE-92684b97-38
0.291
MAR-TRE-9d18ae8c-42
0.291
MAR-TRE-92684b97-11
0.291
MAR-TRE-9d18ae8c-67
0.291