Molecular Properties | |
SMILES: | O=C(NCc1c(O)ccc2ccccc12)c1cncnc1 |
MW: | 279.1 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 75.11 |
cLogP: | 2.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
o-Substituted phenols (2)
mannich_A(296)
MAR-TRE-92684b97-96
0.623
MAR-TRE-be9ff7d2-67
0.477
MAR-TRE-4f781e27-100
0.473
MAR-TRE-92684b97-53
0.442
MAR-TRE-e82e6c98-54
0.417
MAR-TRE-be9ff7d2-11
0.411
MAR-TRE-92684b97-74
0.411
MAR-TRE-4f781e27-83
0.407
MAR-TRE-92684b97-78
0.400
MAR-TRE-799db12b-84
0.395
MAR-TRE-8190bb11-42
0.392
MAR-TRE-4f781e27-28
0.390
MAR-TRE-8190bb11-24
0.389
MAR-TRE-8190bb11-85
0.389
MAR-TRE-e82e6c98-18
0.388
MAR-TRE-92684b97-82
0.388
MAR-TRE-92684b97-54
0.385
MAR-TRE-4f781e27-96
0.380
MAR-TRE-9d18ae8c-8
0.380
MAR-TRE-8190bb11-13
0.378
MAR-TRE-be9ff7d2-90
0.378
MAR-TRE-9d18ae8c-46
0.378
MAR-TRE-66ac689e-74
0.378
MAR-TRE-9d18ae8c-18
0.378
MAR-TRE-92684b97-81
0.375
MAR-TRE-8190bb11-40
0.375
MAR-TRE-799db12b-44
0.375
MAR-TRE-9d18ae8c-53
0.375
MAR-TRE-4f781e27-2
0.373
MAR-TRE-e82e6c98-57
0.373
MAR-TRE-799db12b-89
0.370
MAR-TRE-4f781e27-49
0.370
MAR-TRE-8190bb11-83
0.369
MAR-TRE-92684b97-68
0.369
MAR-TRE-799db12b-35
0.368
MAR-TRE-9d18ae8c-89
0.368
MAR-TRE-4f781e27-99
0.368
MAR-TRE-8190bb11-81
0.367
MAR-TRE-8190bb11-82
0.367
MAR-TRE-9d18ae8c-94
0.366
MAR-TRE-e82e6c98-68
0.365
MAR-TRE-8190bb11-31
0.365
MAR-TRE-be9ff7d2-1
0.364
MAR-TRE-8190bb11-50
0.364
MAR-TRE-92684b97-44
0.362
MAR-TRE-66ac689e-37
0.362
MAR-TRE-66ac689e-73
0.362
MAR-TRE-9d18ae8c-17
0.361
MAR-TRE-799db12b-2
0.361
MAR-TRE-799db12b-3
0.361
MAR-TRE-799db12b-24
0.361
MAR-TRE-92684b97-6
0.360
MAR-TRE-92684b97-11
0.359
MAR-TRE-9d18ae8c-52
0.357
MAR-TRE-4f781e27-48
0.357
MAR-TRE-66ac689e-47
0.357
MAR-TRE-8190bb11-80
0.357
MAR-TRE-9d18ae8c-28
0.354
MAR-TRE-66ac689e-12
0.354
MAR-TRE-be9ff7d2-17
0.354
MAR-TRE-9d18ae8c-6
0.354
MAR-TRE-799db12b-27
0.354
MAR-TRE-8190bb11-86
0.354
MAR-TRE-799db12b-16
0.354
MAR-TRE-8190bb11-88
0.354
MAR-TRE-92684b97-2
0.353
MAR-TRE-9d18ae8c-7
0.353
MAR-TRE-e82e6c98-23
0.351
MAR-TRE-8190bb11-96
0.351
MAR-TRE-be9ff7d2-34
0.350
MAR-TRE-66ac689e-26
0.350
MAR-TRE-e82e6c98-12
0.350
MAR-TRE-4f781e27-54
0.350
MAR-TRE-66ac689e-29
0.349
MAR-TRE-e82e6c98-95
0.349
MAR-TRE-4f781e27-88
0.349
MAR-TRE-9d18ae8c-81
0.349
MAR-TRE-9d18ae8c-11
0.349
MAR-TRE-799db12b-69
0.349
MAR-TRE-9d18ae8c-43
0.349
MAR-TRE-4f781e27-19
0.346
MAR-TRE-799db12b-39
0.346
MAR-TRE-799db12b-33
0.345
MAR-TRE-8190bb11-34
0.345
MAR-TRE-be9ff7d2-82
0.345
MAR-TRE-4f781e27-34
0.345
MAR-TRE-9d18ae8c-54
0.345
MAR-TRE-799db12b-97
0.345
MAR-TRE-66ac689e-54
0.345
MAR-TRE-799db12b-64
0.345
MAR-TRE-799db12b-65
0.345
MAR-TRE-c317dd82-55
0.342
MAR-TRE-66ac689e-20
0.341
MAR-TRE-4f781e27-92
0.341
MAR-TRE-be9ff7d2-89
0.341
MAR-TRE-e82e6c98-91
0.341
MAR-TRE-9d18ae8c-30
0.341
MAR-TRE-9d18ae8c-36
0.341
MAR-TRE-66ac689e-33
0.341
MAR-TRE-9d18ae8c-65
0.341