Molecular Properties | |
SMILES: | O=C(NCc1c(O)cc(O)cc1O)c1cncnc1 |
MW: | 261.07 |
Fraction sp3: | 0.08 |
HBA: | 6 |
HBD: | 4 |
Rotatable Bonds: | 3 |
TPSA: | 115.57 |
cLogP: | 0.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
o-Substituted phenols (2)
Filter57_polyphenol1
mannich_A(296)
MAR-TRE-be9ff7d2-11
0.492
MAR-TRE-9d18ae8c-74
0.477
MAR-TRE-be9ff7d2-90
0.475
MAR-TRE-92684b97-74
0.468
MAR-TRE-4f781e27-100
0.448
MAR-TRE-e82e6c98-57
0.444
MAR-TRE-92684b97-78
0.433
MAR-TRE-8190bb11-42
0.422
MAR-TRE-8190bb11-24
0.419
MAR-TRE-8190bb11-85
0.419
MAR-TRE-e82e6c98-23
0.415
MAR-TRE-e82e6c98-18
0.414
MAR-TRE-e82e6c98-68
0.413
MAR-TRE-e82e6c98-12
0.412
MAR-TRE-92684b97-96
0.408
MAR-TRE-8190bb11-13
0.406
MAR-TRE-c317dd82-55
0.403
MAR-TRE-92684b97-11
0.403
MAR-TRE-66ac689e-74
0.403
MAR-TRE-799db12b-44
0.400
MAR-TRE-92684b97-81
0.400
MAR-TRE-e82e6c98-60
0.400
MAR-TRE-66ac689e-12
0.397
MAR-TRE-be9ff7d2-17
0.397
MAR-TRE-92684b97-53
0.394
MAR-TRE-799db12b-89
0.394
MAR-TRE-8190bb11-88
0.394
MAR-TRE-92684b97-82
0.394
MAR-TRE-4f781e27-99
0.394
MAR-TRE-9d18ae8c-89
0.394
MAR-TRE-799db12b-35
0.394
MAR-TRE-c317dd82-41
0.393
MAR-TRE-8190bb11-83
0.392
MAR-TRE-8190bb11-81
0.391
MAR-TRE-e82e6c98-95
0.389
MAR-TRE-be9ff7d2-1
0.388
MAR-TRE-8190bb11-50
0.388
MAR-TRE-66ac689e-37
0.386
MAR-TRE-66ac689e-73
0.386
MAR-TRE-be9ff7d2-18
0.386
MAR-TRE-e82e6c98-35
0.386
MAR-TRE-be9ff7d2-82
0.384
MAR-TRE-8190bb11-34
0.384
MAR-TRE-92684b97-64
0.384
MAR-TRE-799db12b-33
0.384
MAR-TRE-4f781e27-92
0.380
MAR-TRE-e82e6c98-91
0.380
MAR-TRE-a9136c7b-24
0.380
MAR-TRE-9d18ae8c-53
0.380
MAR-TRE-4f781e27-2
0.378
MAR-TRE-4f781e27-28
0.377
MAR-TRE-e82e6c98-16
0.377
MAR-TRE-a9136c7b-54
0.377
MAR-TRE-8190bb11-86
0.375
MAR-TRE-4f781e27-49
0.375
MAR-TRE-799db12b-16
0.375
MAR-TRE-799db12b-27
0.375
MAR-TRE-9d18ae8c-6
0.375
MAR-TRE-8190bb11-82
0.371
MAR-TRE-92684b97-54
0.371
MAR-TRE-be9ff7d2-34
0.371
MAR-TRE-66ac689e-26
0.371
MAR-TRE-e82e6c98-5
0.370
MAR-TRE-799db12b-7
0.370
MAR-TRE-799db12b-52
0.370
MAR-TRE-4f781e27-88
0.370
MAR-TRE-e82e6c98-64
0.370
MAR-TRE-799db12b-69
0.368
MAR-TRE-8190bb11-8
0.368
MAR-TRE-92684b97-44
0.366
MAR-TRE-9d18ae8c-18
0.365
MAR-TRE-799db12b-2
0.365
MAR-TRE-799db12b-3
0.365
MAR-TRE-799db12b-24
0.365
MAR-TRE-4f781e27-75
0.365
MAR-TRE-9d18ae8c-54
0.365
MAR-TRE-9d18ae8c-46
0.365
MAR-TRE-92684b97-52
0.364
MAR-TRE-e82e6c98-54
0.364
MAR-TRE-92684b97-47
0.361
MAR-TRE-66ac689e-20
0.361
MAR-TRE-8190bb11-40
0.361
MAR-TRE-9d18ae8c-84
0.361
MAR-TRE-be9ff7d2-89
0.361
MAR-TRE-9d18ae8c-36
0.360
MAR-TRE-66ac689e-33
0.360
MAR-TRE-8190bb11-80
0.360
MAR-TRE-4f781e27-83
0.360
MAR-TRE-9d18ae8c-52
0.360
MAR-TRE-9d18ae8c-30
0.360
MAR-TRE-8190bb11-68
0.360
MAR-TRE-9d18ae8c-65
0.359
MAR-TRE-be9ff7d2-49
0.358
MAR-TRE-e82e6c98-67
0.358
MAR-TRE-4f781e27-22
0.357
MAR-TRE-66ac689e-28
0.357
MAR-TRE-e82e6c98-8
0.356
MAR-TRE-e82e6c98-93
0.356
MAR-TRE-66ac689e-21
0.356
MAR-TRE-8190bb11-73
0.356