Molecular Properties | |
SMILES: | O=C(NC(Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cncnc1 |
MW: | 359.14 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 103.79 |
cLogP: | 2.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-85681e92-70
0.392
MAR-TRE-92684b97-87
0.373
MAR-TRE-9d18ae8c-12
0.368
MAR-TRE-85681e92-51
0.366
MAR-TRE-e82e6c98-70
0.366
MAR-TRE-92684b97-98
0.366
MAR-TRE-66ac689e-41
0.360
MAR-TRE-4f781e27-44
0.360
MAR-TRE-9d18ae8c-24
0.358
MAR-TRE-8190bb11-25
0.356
MAR-TRE-8190bb11-6
0.352
MAR-TRE-8190bb11-11
0.349
MAR-TRE-92684b97-51
0.349
MAR-TRE-9d18ae8c-94
0.348
MAR-TRE-4f781e27-91
0.345
MAR-TRE-8190bb11-97
0.345
MAR-TRE-9d18ae8c-14
0.344
MAR-TRE-9d18ae8c-50
0.344
MAR-TRE-66ac689e-87
0.344
MAR-TRE-8190bb11-23
0.344
MAR-TRE-9d18ae8c-19
0.344
MAR-TRE-92684b97-56
0.341
MAR-TRE-66ac689e-57
0.337
MAR-TRE-92684b97-86
0.337
MAR-TRE-66ac689e-92
0.337
MAR-TRE-4f781e27-4
0.337
MAR-TRE-92684b97-68
0.337
MAR-TRE-92684b97-85
0.333
MAR-TRE-be9ff7d2-84
0.333
MAR-TRE-66ac689e-81
0.333
MAR-TRE-66ac689e-52
0.333
MAR-TRE-8190bb11-35
0.330
MAR-TRE-799db12b-50
0.330
MAR-TRE-4f781e27-24
0.330
MAR-TRE-66ac689e-18
0.330
MAR-TRE-9d18ae8c-59
0.329
MAR-TRE-66ac689e-62
0.329
MAR-TRE-8190bb11-17
0.326
MAR-TRE-8190bb11-93
0.326
MAR-TRE-9d18ae8c-51
0.326
MAR-TRE-a9136c7b-69
0.326
MAR-TRE-92684b97-71
0.326
MAR-TRE-799db12b-47
0.326
MAR-TRE-92684b97-49
0.324
MAR-TRE-92684b97-2
0.323
MAR-TRE-4f781e27-56
0.323
MAR-TRE-66ac689e-79
0.322
MAR-TRE-9d18ae8c-97
0.322
MAR-TRE-a9136c7b-33
0.322
MAR-TRE-799db12b-46
0.322
MAR-TRE-799db12b-94
0.322
MAR-TRE-4f781e27-73
0.322
MAR-TRE-4f781e27-39
0.322
MAR-TRE-66ac689e-49
0.322
MAR-TRE-e86a56b5-69
0.321
MAR-TRE-92684b97-93
0.320
MAR-TRE-66ac689e-68
0.319
MAR-TRE-9d18ae8c-21
0.318
MAR-TRE-92684b97-41
0.318
MAR-TRE-8190bb11-47
0.318
MAR-TRE-9d18ae8c-87
0.318
MAR-TRE-92684b97-99
0.318
MAR-TRE-8190bb11-91
0.318
MAR-TRE-4f781e27-69
0.316
MAR-TRE-8190bb11-70
0.316
MAR-TRE-9d18ae8c-8
0.315
MAR-TRE-a9136c7b-55
0.315
MAR-TRE-66ac689e-84
0.315
MAR-TRE-4f781e27-6
0.313
MAR-TRE-8190bb11-90
0.312
MAR-TRE-a9136c7b-58
0.312
MAR-TRE-4f781e27-93
0.312
MAR-TRE-4f781e27-51
0.312
MAR-TRE-799db12b-80
0.312
MAR-TRE-66ac689e-97
0.312
MAR-TRE-66ac689e-95
0.311
MAR-TRE-92684b97-27
0.310
MAR-TRE-be9ff7d2-48
0.310
MAR-TRE-8190bb11-71
0.310
MAR-TRE-92684b97-50
0.310
MAR-TRE-9d18ae8c-1
0.309
MAR-TRE-92684b97-92
0.309
MAR-TRE-9d18ae8c-40
0.308
MAR-TRE-92684b97-24
0.308
MAR-TRE-66ac689e-39
0.308
MAR-TRE-66ac689e-80
0.308
MAR-TRE-8190bb11-48
0.307
MAR-TRE-9d18ae8c-86
0.306
MAR-TRE-be9ff7d2-47
0.306
MAR-TRE-a9136c7b-46
0.305
MAR-TRE-a9136c7b-59
0.305
MAR-TRE-4f781e27-71
0.305
MAR-TRE-e82e6c98-13
0.304
MAR-TRE-be9ff7d2-10
0.303
MAR-TRE-66ac689e-19
0.303
MAR-TRE-be9ff7d2-9
0.303
MAR-TRE-799db12b-95
0.302
MAR-TRE-4f781e27-29
0.300
MAR-TRE-a9136c7b-71
0.299
MAR-TRE-e86a56b5-66
0.299