Molecular Properties | |
SMILES: | COCc1nc2cc(NC(=O)c3cncnc3)ccc2o1 |
MW: | 284.09 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 90.14 |
cLogP: | 2.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-16
0.451
MAR-TRE-66ac689e-88
0.416
MAR-TRE-8190bb11-4
0.388
MAR-TRE-4f781e27-47
0.384
MAR-TRE-799db12b-39
0.373
MAR-TRE-c317dd82-45
0.372
MAR-TRE-799db12b-86
0.368
MAR-TRE-be9ff7d2-15
0.361
MAR-TRE-9d18ae8c-2
0.357
MAR-TRE-a9136c7b-51
0.356
MAR-TRE-66ac689e-8
0.353
MAR-TRE-c317dd82-90
0.349
MAR-TRE-66ac689e-31
0.345
MAR-TRE-66ac689e-76
0.345
MAR-TRE-799db12b-37
0.344
MAR-TRE-a9136c7b-16
0.344
MAR-TRE-be9ff7d2-83
0.341
MAR-TRE-c317dd82-23
0.340
MAR-TRE-92684b97-55
0.337
MAR-TRE-799db12b-43
0.337
MAR-TRE-4f781e27-60
0.337
MAR-TRE-799db12b-34
0.337
MAR-TRE-c317dd82-56
0.337
MAR-TRE-66ac689e-57
0.333
MAR-TRE-8190bb11-7
0.333
MAR-TRE-4f781e27-12
0.333
MAR-TRE-8190bb11-69
0.333
MAR-TRE-66ac689e-51
0.329
MAR-TRE-66ac689e-25
0.326
MAR-TRE-66ac689e-89
0.326
MAR-TRE-92684b97-64
0.326
MAR-TRE-799db12b-33
0.326
MAR-TRE-e82e6c98-58
0.326
MAR-TRE-e82e6c98-9
0.325
MAR-TRE-be9ff7d2-36
0.325
MAR-TRE-a9136c7b-9
0.323
MAR-TRE-4f781e27-83
0.322
MAR-TRE-799db12b-25
0.319
MAR-TRE-92684b97-25
0.319
MAR-TRE-799db12b-40
0.319
MAR-TRE-4f781e27-80
0.318
MAR-TRE-4f781e27-31
0.318
MAR-TRE-e82e6c98-80
0.317
MAR-TRE-c317dd82-47
0.316
MAR-TRE-9d18ae8c-11
0.315
MAR-TRE-a9136c7b-42
0.315
MAR-TRE-799db12b-20
0.314
MAR-TRE-4f781e27-45
0.314
MAR-TRE-9d18ae8c-58
0.314
MAR-TRE-be9ff7d2-40
0.314
MAR-TRE-8190bb11-65
0.313
MAR-TRE-9d18ae8c-15
0.313
MAR-TRE-e82e6c98-76
0.313
MAR-TRE-c317dd82-63
0.313
MAR-TRE-9d18ae8c-85
0.313
MAR-TRE-799db12b-26
0.312
MAR-TRE-799db12b-2
0.311
MAR-TRE-9d18ae8c-18
0.311
MAR-TRE-799db12b-50
0.310
MAR-TRE-66ac689e-2
0.310
MAR-TRE-9d18ae8c-29
0.310
MAR-TRE-66ac689e-18
0.310
WIL-UNI-2a57d06c-4
0.309
MAR-TRE-a9136c7b-32
0.309
MAR-TRE-a9136c7b-10
0.309
MAR-TRE-a9136c7b-69
0.308
MAR-TRE-4f781e27-2
0.308
MAR-TRE-a9136c7b-57
0.308
MAR-TRE-a9136c7b-12
0.308
MAR-TRE-799db12b-93
0.308
MAR-TRE-e82e6c98-91
0.307
MAR-TRE-799db12b-80
0.307
MAR-TRE-799db12b-47
0.306
MAR-TRE-8190bb11-51
0.306
MAR-TRE-4f781e27-40
0.306
MAR-TRE-799db12b-84
0.306
MAR-TRE-66ac689e-99
0.304
MAR-TRE-4f781e27-67
0.304
MAR-TRE-9d18ae8c-9
0.304
MAR-TRE-9d18ae8c-7
0.304
MAR-TRE-799db12b-16
0.303
MAR-TRE-799db12b-66
0.302
MAR-TRE-799db12b-94
0.302
MAR-TRE-4f781e27-14
0.302
MAR-TRE-9d18ae8c-40
0.302
MAR-TRE-799db12b-55
0.302
MAR-TRE-799db12b-46
0.302
MAR-TRE-66ac689e-30
0.302
MAR-TRE-66ac689e-79
0.302
MAR-TRE-e82e6c98-74
0.301
MAR-TRE-66ac689e-23
0.301
MAR-TRE-be9ff7d2-2
0.301
MAR-TRE-92684b97-93
0.301
MAR-TRE-be9ff7d2-95
0.301
MAR-TRE-4f781e27-27
0.301
MAR-TRE-92684b97-73
0.300
MAR-TRE-a9136c7b-89
0.300
MAR-TRE-be9ff7d2-47
0.300
MAR-TRE-a9136c7b-59
0.300
MAR-TRE-9d18ae8c-60
0.300