Molecular Properties | |
SMILES: | O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cncnc1 |
MW: | 326.14 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 84.42 |
cLogP: | 1.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-799db12b-17
0.618
MAR-TRE-c317dd82-7
0.519
MAR-TRE-4f781e27-12
0.514
MAR-TRE-c317dd82-45
0.494
MAR-TRE-c317dd82-13
0.487
MAR-TRE-66ac689e-51
0.461
MAR-TRE-9d18ae8c-58
0.461
MAR-TRE-4f781e27-67
0.457
MAR-TRE-4f781e27-31
0.447
MAR-TRE-66ac689e-88
0.446
MAR-TRE-799db12b-34
0.444
MAR-TRE-9d18ae8c-29
0.436
MAR-TRE-8190bb11-69
0.429
MAR-TRE-c317dd82-23
0.425
MAR-TRE-c317dd82-96
0.419
MAR-TRE-be9ff7d2-16
0.416
MAR-TRE-a9136c7b-65
0.410
MAR-TRE-8190bb11-65
0.408
MAR-TRE-8190bb11-100
0.405
MAR-TRE-66ac689e-61
0.402
MAR-TRE-66ac689e-2
0.400
MAR-TRE-4f781e27-1
0.391
MAR-TRE-dab8f6ea-29
0.390
MAR-TRE-9d18ae8c-15
0.390
MAR-TRE-a9136c7b-89
0.386
MAR-TRE-799db12b-93
0.376
MAR-TRE-a9136c7b-11
0.370
MAR-TRE-c317dd82-81
0.369
MAR-TRE-a9136c7b-16
0.366
GIA-UNK-3f36037a-2
0.365
MAR-TRE-799db12b-64
0.364
MAR-TRE-c317dd82-27
0.359
MAR-TRE-e82e6c98-52
0.357
MAR-TRE-a9136c7b-38
0.357
MAR-TRE-a9136c7b-17
0.356
MAR-TRE-c317dd82-69
0.356
MAR-TRE-c317dd82-18
0.346
MAR-TRE-66ac689e-21
0.341
MAR-TRE-799db12b-40
0.341
MAR-TRE-92684b97-25
0.341
MAR-TRE-66ac689e-34
0.337
MAR-TRE-66ac689e-40
0.337
MAR-TRE-66ac689e-31
0.337
KEI-TRE-d5e2018a-36
0.337
MAR-TRE-66ac689e-24
0.333
MAR-TRE-c317dd82-73
0.333
MAR-TRE-be9ff7d2-46
0.333
MAR-TRE-799db12b-26
0.333
MAR-TRE-e82e6c98-38
0.333
MAR-TRE-a9136c7b-64
0.333
MAR-TRE-c317dd82-22
0.330
MAR-TRE-c317dd82-56
0.330
MAR-TRE-a9136c7b-9
0.330
MAR-TRE-a9136c7b-57
0.330
MAR-TRE-4f781e27-85
0.329
MAR-TRE-92684b97-78
0.329
MAK-UNK-748f8b7a-11
0.329
MAR-TRE-c317dd82-10
0.327
MAR-TRE-66ac689e-30
0.325
MAR-TRE-e82e6c98-80
0.325
MAR-TRE-e82e6c98-55
0.321
MAR-TRE-4f781e27-49
0.321
MAR-TRE-9d18ae8c-14
0.318
MAR-TRE-4f781e27-98
0.316
MAR-TRE-c317dd82-16
0.315
MAR-TRE-4f781e27-48
0.315
MAR-TRE-92684b97-55
0.314
MAR-TRE-799db12b-74
0.313
MAR-TRE-e82e6c98-65
0.313
MAR-TRE-799db12b-25
0.311
MAR-TRE-a9136c7b-99
0.311
MAR-TRE-c317dd82-90
0.310
MAR-TRE-c317dd82-91
0.310
MAR-TRE-e82e6c98-1
0.310
MAR-TRE-c317dd82-53
0.309
LUI-IND-a1be81af-2
0.308
MAR-TRE-a9136c7b-76
0.308
MAR-TRE-799db12b-37
0.308
MAR-TRE-3e4e6814-34
0.307
MAR-TRE-799db12b-52
0.307
MAR-TRE-66ac689e-29
0.307
KEI-TRE-d5e2018a-32
0.307
MAR-TRE-e82e6c98-90
0.307
MAR-TRE-a9136c7b-42
0.307
MAR-TRE-66ac689e-76
0.307
MAR-TRE-4f781e27-88
0.307
MAR-TRE-92684b97-22
0.306
MAR-TRE-9d18ae8c-69
0.306
MAR-TRE-8190bb11-56
0.306
MAR-TRE-e82e6c98-50
0.306
MAR-TRE-66ac689e-26
0.306
MAR-TRE-9d18ae8c-87
0.305
MAR-TRE-66ac689e-54
0.304
MAR-TRE-799db12b-14
0.304
MAR-TRE-8190bb11-24
0.304
MAR-TRE-66ac689e-25
0.303
MAR-TRE-66ac689e-89
0.303
MAR-TRE-8190bb11-4
0.303
MAR-TRE-c317dd82-86
0.302
MAR-TRE-e82e6c98-56
0.302