Molecular Properties | |
SMILES: | COc1cc(OC)c2c(c1)OCCC2NC(=O)c1cncnc1 |
MW: | 315.12 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 82.57 |
cLogP: | 1.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter57_polyphenol1
MAR-TRE-c317dd82-14
0.435
MAR-TRE-4f781e27-18
0.414
MAR-TRE-9d18ae8c-90
0.407
MAR-TRE-e82e6c98-86
0.400
MAR-TRE-c317dd82-44
0.375
MAR-TRE-e82e6c98-81
0.369
MAR-TRE-799db12b-92
0.366
MAR-TRE-a9136c7b-98
0.360
MAR-TRE-a9136c7b-9
0.351
MAR-TRE-8190bb11-75
0.347
MAR-TRE-92684b97-7
0.333
MAR-TRE-c317dd82-88
0.333
MAR-TRE-4f781e27-35
0.333
MAR-TRE-be9ff7d2-5
0.330
MAR-TRE-be9ff7d2-53
0.330
MAR-TRE-e82e6c98-33
0.330
MAR-TRE-92684b97-20
0.330
MAR-TRE-4f781e27-79
0.326
MAR-TRE-c317dd82-46
0.326
MAR-TRE-9d18ae8c-13
0.323
MAR-TRE-e82e6c98-53
0.323
MAR-TRE-92684b97-14
0.322
MAR-TRE-e82e6c98-65
0.322
MAR-TRE-c317dd82-90
0.319
MAR-TRE-be9ff7d2-49
0.318
MAR-TRE-92684b97-57
0.317
MAR-TRE-9d18ae8c-86
0.316
MAR-TRE-be9ff7d2-95
0.316
MAR-TRE-799db12b-7
0.315
MAR-TRE-9d18ae8c-38
0.315
MAR-TRE-c317dd82-80
0.315
MAR-TRE-4f781e27-16
0.315
MAR-TRE-e82e6c98-76
0.314
MAR-TRE-e82e6c98-78
0.312
MAR-TRE-8190bb11-67
0.312
MAR-TRE-4f781e27-58
0.311
MAR-TRE-e82e6c98-34
0.311
MAR-TRE-e82e6c98-56
0.311
MAR-TRE-a9136c7b-92
0.310
MAR-TRE-92684b97-77
0.310
MAR-TRE-be9ff7d2-3
0.310
MAR-TRE-e82e6c98-71
0.310
MAR-TRE-c317dd82-3
0.310
MAR-TRE-66ac689e-69
0.309
MAR-TRE-a9136c7b-69
0.309
MAR-TRE-a9136c7b-96
0.309
MAR-TRE-799db12b-80
0.308
MAR-TRE-8190bb11-95
0.308
MAR-TRE-be9ff7d2-64
0.308
MAR-TRE-be9ff7d2-69
0.307
MAR-TRE-be9ff7d2-52
0.306
MAR-TRE-e82e6c98-14
0.304
MAR-TRE-799db12b-29
0.303
MAR-TRE-4f781e27-22
0.303
MAR-TRE-92684b97-39
0.303
MAR-TRE-799db12b-94
0.303
MAR-TRE-66ac689e-23
0.302
MAR-TRE-66ac689e-57
0.302
MAR-TRE-92684b97-32
0.302
MAR-TRE-a9136c7b-89
0.301
MAR-TRE-92684b97-45
0.301
MAR-TRE-92684b97-96
0.301
MAR-TRE-e82e6c98-99
0.301
MAR-TRE-8190bb11-41
0.300
MAR-TRE-8190bb11-49
0.300
MAR-TRE-c317dd82-99
0.300
MAR-TRE-4f781e27-9
0.299
MAR-TRE-66ac689e-54
0.299
MAR-TRE-799db12b-41
0.299
MAR-TRE-c317dd82-8
0.299
MAR-TRE-e82e6c98-55
0.299
MAR-TRE-c317dd82-32
0.297
MAR-TRE-8190bb11-58
0.297
MAR-TRE-9d18ae8c-99
0.297
MAR-TRE-c317dd82-34
0.297
MAR-TRE-be9ff7d2-86
0.297
MAR-TRE-e82e6c98-58
0.297
MAR-TRE-a9136c7b-32
0.296
MAR-TRE-4f781e27-53
0.296
MAR-TRE-66ac689e-18
0.295
MAR-TRE-4f781e27-20
0.295
MAR-TRE-799db12b-78
0.295
MAR-TRE-a9136c7b-70
0.293
MAR-TRE-8190bb11-78
0.292
MAR-TRE-799db12b-47
0.292
MAR-TRE-c317dd82-18
0.292
MAR-TRE-be9ff7d2-42
0.292
MAR-TRE-799db12b-84
0.292
MAR-TRE-66ac689e-99
0.292
ALP-POS-bea7b391-2
0.291
MAR-TRE-92684b97-29
0.290
MAR-TRE-92684b97-62
0.290
MAR-TRE-c317dd82-47
0.290
MAR-TRE-c317dd82-67
0.290
MAR-TRE-799db12b-46
0.289
MAR-TRE-66ac689e-12
0.289
MAR-TRE-66ac689e-93
0.289
MAR-TRE-c317dd82-100
0.289
MAR-TRE-e82e6c98-1
0.289
MAR-TRE-a9136c7b-27
0.289