Molecular Properties | |
SMILES: | COC(=O)C1c2ccccc2CC1NC(=O)c1cncnc1 |
MW: | 297.11 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 81.18 |
cLogP: | 1.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-9d18ae8c-72
0.438
MAR-TRE-92684b97-57
0.411
MAR-TRE-e82e6c98-81
0.410
MAR-TRE-4f781e27-79
0.410
MAR-TRE-799db12b-92
0.386
MAR-TRE-8190bb11-41
0.383
MAR-TRE-9d18ae8c-39
0.378
MAR-TRE-92684b97-76
0.375
MAR-TRE-a9136c7b-86
0.375
MAR-TRE-e82e6c98-86
0.375
MAR-TRE-9d18ae8c-61
0.373
MAR-TRE-a9136c7b-47
0.372
MAR-TRE-a9136c7b-96
0.372
MAR-TRE-9d18ae8c-90
0.365
MAR-TRE-c317dd82-46
0.362
MAR-TRE-e82e6c98-53
0.356
MAR-TRE-92684b97-39
0.354
MAR-TRE-a9136c7b-95
0.352
MAR-TRE-9d18ae8c-78
0.350
MAR-TRE-e82e6c98-44
0.345
MAR-TRE-a9136c7b-2
0.344
MAR-TRE-be9ff7d2-69
0.341
MAR-TRE-9d18ae8c-32
0.341
MAR-TRE-4f781e27-18
0.341
MAR-TRE-4f781e27-35
0.337
MAR-TRE-be9ff7d2-22
0.333
MAR-TRE-c317dd82-65
0.333
MAR-TRE-a9136c7b-63
0.333
MAR-TRE-92684b97-70
0.330
MAR-TRE-c317dd82-77
0.329
MAR-TRE-9d18ae8c-99
0.329
MAR-TRE-9d18ae8c-93
0.329
MAR-TRE-be9ff7d2-75
0.326
MAR-TRE-e82e6c98-96
0.326
MAR-TRE-9d18ae8c-13
0.326
MAR-TRE-e82e6c98-28
0.326
MAR-TRE-c317dd82-18
0.325
MAR-TRE-e82e6c98-65
0.325
MAR-TRE-92684b97-62
0.322
MAR-TRE-9d18ae8c-68
0.322
MAR-TRE-be9ff7d2-30
0.322
MAR-TRE-92684b97-79
0.322
MAR-TRE-4f781e27-22
0.321
MAR-TRE-4f781e27-32
0.321
MAR-TRE-c317dd82-88
0.321
MAR-TRE-92684b97-37
0.318
MAR-TRE-9d18ae8c-98
0.318
MAR-TRE-c317dd82-44
0.318
MAR-TRE-c317dd82-8
0.317
MAR-TRE-c317dd82-14
0.315
MAR-TRE-8190bb11-70
0.315
MAR-TRE-92684b97-84
0.315
MAR-TRE-c317dd82-34
0.314
MAR-TRE-c317dd82-3
0.312
MAR-TRE-92684b97-43
0.311
MAR-TRE-4f781e27-83
0.311
MAR-TRE-92684b97-14
0.310
MAR-TRE-9d18ae8c-27
0.310
MAR-TRE-4f781e27-86
0.310
MAR-TRE-9d18ae8c-42
0.310
MAR-TRE-4f781e27-21
0.309
MAR-TRE-be9ff7d2-52
0.309
MAR-TRE-92684b97-61
0.307
MAR-TRE-9d18ae8c-79
0.307
MAR-TRE-799db12b-31
0.307
MAR-TRE-4f781e27-56
0.307
MAR-TRE-c317dd82-76
0.306
MAR-TRE-92684b97-7
0.306
MAR-TRE-66ac689e-70
0.305
MAR-TRE-8190bb11-62
0.305
MAR-TRE-799db12b-71
0.304
MAR-TRE-9d18ae8c-86
0.304
MAR-TRE-92684b97-45
0.303
MAR-TRE-8190bb11-46
0.303
MAR-TRE-c317dd82-99
0.302
MAR-TRE-8190bb11-56
0.302
MAR-TRE-8190bb11-10
0.302
MAR-TRE-92684b97-54
0.302
MAR-TRE-4f781e27-45
0.302
MAR-TRE-9d18ae8c-15
0.301
MAR-TRE-9d18ae8c-24
0.301
MAR-TRE-e82e6c98-41
0.300
MAR-TRE-9d18ae8c-17
0.300
MAR-TRE-e82e6c98-56
0.299
MAR-TRE-9d18ae8c-2
0.299
MAR-TRE-e82e6c98-71
0.298
MAR-TRE-92684b97-77
0.298
MAR-TRE-be9ff7d2-36
0.296
MAR-TRE-799db12b-44
0.295
MAR-TRE-66ac689e-97
0.295
MAR-TRE-8190bb11-75
0.295
MAR-TRE-92684b97-38
0.294
MAR-TRE-be9ff7d2-42
0.294
MAR-TRE-8190bb11-78
0.294
MAR-TRE-4f781e27-74
0.294
MAR-TRE-9d18ae8c-33
0.294
MAR-TRE-4f781e27-40
0.294
MAR-TRE-be9ff7d2-72
0.294
MAR-TRE-799db12b-84
0.294
MAR-TRE-92684b97-82
0.292