Molecular Properties | |
SMILES: | O=C(NCc1cc(Cl)cc(Cl)c1O)c1cncnc1 |
MW: | 297.01 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 75.11 |
cLogP: | 2.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
o-Substituted phenols (2)
mannich_A(296)
MAR-TRE-be9ff7d2-90
0.540
MAR-TRE-8190bb11-42
0.463
MAR-TRE-be9ff7d2-67
0.444
MAR-TRE-e82e6c98-60
0.419
MAR-TRE-66ac689e-12
0.417
MAR-TRE-8190bb11-88
0.413
MAR-TRE-8190bb11-82
0.411
MAR-TRE-8190bb11-81
0.411
MAR-TRE-92684b97-78
0.409
MAR-TRE-799db12b-7
0.408
MAR-TRE-c317dd82-55
0.403
MAR-TRE-be9ff7d2-89
0.400
MAR-TRE-e82e6c98-91
0.400
MAR-TRE-92684b97-53
0.395
MAR-TRE-e82e6c98-12
0.392
MAR-TRE-92684b97-54
0.392
MAR-TRE-e82e6c98-68
0.391
MAR-TRE-be9ff7d2-18
0.387
MAR-TRE-e82e6c98-35
0.387
MAR-TRE-4f781e27-75
0.385
MAR-TRE-66ac689e-74
0.385
MAR-TRE-92684b97-88
0.384
MAR-TRE-be9ff7d2-11
0.380
MAR-TRE-4f781e27-83
0.380
MAR-TRE-66ac689e-47
0.380
MAR-TRE-8190bb11-85
0.377
MAR-TRE-8190bb11-24
0.377
MAR-TRE-799db12b-89
0.377
MAR-TRE-be9ff7d2-39
0.375
MAR-TRE-4f781e27-84
0.375
MAR-TRE-e82e6c98-23
0.375
MAR-TRE-be9ff7d2-34
0.373
MAR-TRE-9d18ae8c-74
0.373
MAR-TRE-be9ff7d2-92
0.372
MAR-TRE-e82e6c98-5
0.372
MAR-TRE-66ac689e-29
0.372
MAR-TRE-be9ff7d2-65
0.371
MAR-TRE-4f781e27-100
0.368
MAR-TRE-be9ff7d2-82
0.367
MAR-TRE-a9136c7b-100
0.367
MAR-TRE-799db12b-59
0.367
MAR-TRE-8190bb11-13
0.366
MAR-TRE-799db12b-64
0.366
MAR-TRE-92684b97-11
0.365
MAR-TRE-92684b97-72
0.365
MAR-TRE-799db12b-44
0.364
MAR-TRE-a9136c7b-80
0.362
MAR-TRE-9d18ae8c-49
0.361
MAR-TRE-92684b97-74
0.361
MAR-TRE-be9ff7d2-17
0.360
MAR-TRE-799db12b-16
0.359
MAR-TRE-66ac689e-21
0.359
MAR-TRE-799db12b-27
0.359
MAR-TRE-8190bb11-83
0.358
MAR-TRE-4f781e27-49
0.357
MAR-TRE-4f781e27-99
0.356
MAR-TRE-9d18ae8c-89
0.356
MAR-TRE-799db12b-35
0.356
MAR-TRE-66ac689e-26
0.355
MAR-TRE-a9136c7b-28
0.355
MAR-TRE-799db12b-52
0.354
MAR-TRE-e82e6c98-64
0.354
MAR-TRE-be9ff7d2-1
0.351
MAR-TRE-8190bb11-50
0.351
MAR-TRE-66ac689e-37
0.351
MAR-TRE-66ac689e-73
0.351
MAR-TRE-9d18ae8c-54
0.350
MAR-TRE-92684b97-64
0.350
MAR-TRE-799db12b-24
0.350
MAR-TRE-799db12b-65
0.349
MAR-TRE-8190bb11-27
0.349
MAR-TRE-be9ff7d2-48
0.347
MAR-TRE-66ac689e-20
0.346
MAR-TRE-4f781e27-92
0.346
MAR-TRE-9d18ae8c-53
0.346
MAR-TRE-92684b97-81
0.346
MAR-TRE-c317dd82-74
0.346
MAR-TRE-9d18ae8c-52
0.346
MAR-TRE-e82e6c98-16
0.342
MAR-TRE-4f781e27-28
0.342
MAR-TRE-a9136c7b-54
0.342
MAR-TRE-e82e6c98-18
0.342
MAR-TRE-e82e6c98-93
0.342
MAR-TRE-8190bb11-73
0.342
MAR-TRE-8190bb11-86
0.342
MAR-TRE-9d18ae8c-6
0.342
MAR-TRE-92684b97-82
0.342
MAR-TRE-a9136c7b-66
0.338
MAR-TRE-c317dd82-63
0.338
MAR-TRE-e82e6c98-50
0.338
MAR-TRE-c317dd82-81
0.338
MAR-TRE-e82e6c98-95
0.338
MAR-TRE-4f781e27-88
0.338
MAR-TRE-799db12b-11
0.337
MAR-TRE-e82e6c98-51
0.337
MAR-TRE-799db12b-69
0.337
MAR-TRE-c317dd82-67
0.337
MAR-TRE-c317dd82-41
0.333
MAR-TRE-be9ff7d2-61
0.333
MAR-TRE-e82e6c98-43
0.333