Molecular Properties | |
SMILES: | COCC1CCOC1c1nc(CNC(=O)c2cncnc2)n[nH]1 |
MW: | 318.14 |
Fraction sp3: | 0.5 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 114.91 |
cLogP: | 0.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-49
0.734
MAR-TRE-be9ff7d2-99
0.554
MAR-TRE-e82e6c98-10
0.396
MAR-TRE-e82e6c98-67
0.388
MAR-TRE-c317dd82-50
0.379
MAR-TRE-be9ff7d2-81
0.370
MAR-TRE-8190bb11-80
0.362
MAR-TRE-a9136c7b-7
0.361
MAR-TRE-799db12b-89
0.359
MAR-TRE-8190bb11-9
0.357
MAR-TRE-92684b97-54
0.356
MAR-TRE-799db12b-51
0.354
MAR-TRE-c317dd82-47
0.354
MAR-TRE-799db12b-33
0.351
MAR-TRE-be9ff7d2-51
0.347
MAR-TRE-e82e6c98-6
0.347
MAR-TRE-be9ff7d2-33
0.343
MAR-TRE-8190bb11-82
0.341
MAR-TRE-799db12b-7
0.340
MAR-TRE-c317dd82-37
0.340
MAR-TRE-4f781e27-11
0.340
MAR-TRE-e82e6c98-68
0.337
MAR-TRE-e82e6c98-56
0.337
MAR-TRE-be9ff7d2-60
0.337
MAR-TRE-799db12b-4
0.337
MAR-TRE-e82e6c98-97
0.333
MAR-TRE-4f781e27-83
0.333
MAR-TRE-c317dd82-11
0.333
MAR-TRE-a9136c7b-85
0.333
MAR-TRE-8190bb11-2
0.333
MAR-TRE-e82e6c98-8
0.330
MAR-TRE-799db12b-18
0.327
MAR-TRE-c317dd82-67
0.327
MAR-TRE-c317dd82-12
0.327
MAR-TRE-66ac689e-29
0.326
MAR-TRE-799db12b-52
0.326
MAR-TRE-92684b97-96
0.326
MAR-TRE-e82e6c98-12
0.326
MAR-TRE-be9ff7d2-41
0.326
MAR-TRE-e82e6c98-86
0.323
MAR-TRE-799db12b-65
0.323
MAR-TRE-be9ff7d2-82
0.323
MAR-TRE-66ac689e-73
0.323
MAR-TRE-e82e6c98-71
0.322
MAR-TRE-e82e6c98-49
0.320
MAR-TRE-799db12b-92
0.320
MAR-TRE-66ac689e-69
0.320
MAR-TRE-9d18ae8c-36
0.320
MAR-TRE-c317dd82-25
0.320
MAR-TRE-be9ff7d2-69
0.319
MAR-TRE-8190bb11-13
0.318
MAR-TRE-92684b97-52
0.318
MAR-TRE-92684b97-78
0.318
MAR-TRE-8190bb11-83
0.316
MAR-TRE-92684b97-82
0.316
MAR-TRE-e82e6c98-16
0.315
MAR-TRE-4f781e27-22
0.315
MAR-TRE-4f781e27-28
0.315
MAR-TRE-a9136c7b-54
0.315
MAR-TRE-be9ff7d2-11
0.315
MAR-TRE-8190bb11-42
0.315
MAR-TRE-92684b97-74
0.315
MAR-TRE-4f781e27-8
0.314
MAR-TRE-8190bb11-31
0.313
MAR-TRE-e82e6c98-64
0.312
MAR-TRE-be9ff7d2-54
0.312
MAR-TRE-8190bb11-46
0.312
MAR-TRE-8190bb11-81
0.312
MAR-TRE-c317dd82-20
0.311
MAR-TRE-4f781e27-99
0.311
MAR-TRE-e82e6c98-23
0.311
MAR-TRE-9d18ae8c-89
0.311
MAR-TRE-e82e6c98-84
0.311
MAR-TRE-8190bb11-85
0.310
MAR-TRE-8190bb11-24
0.310
MAR-TRE-66ac689e-54
0.310
MAR-TRE-c317dd82-83
0.310
MAR-TRE-799db12b-64
0.310
MAR-TRE-9d18ae8c-34
0.310
MAR-TRE-be9ff7d2-67
0.310
MAR-TRE-799db12b-3
0.309
MAR-TRE-4f781e27-75
0.309
MAR-TRE-e82e6c98-40
0.309
MAR-TRE-799db12b-24
0.309
MAR-TRE-799db12b-59
0.309
MAR-TRE-4f781e27-100
0.309
MAR-TRE-c317dd82-40
0.309
MAR-TRE-e82e6c98-34
0.309
MAR-TRE-e82e6c98-35
0.309
MAR-TRE-66ac689e-37
0.309
MAR-TRE-c317dd82-82
0.308
MAR-TRE-8190bb11-50
0.308
MAR-TRE-be9ff7d2-1
0.308
MAR-TRE-e82e6c98-42
0.306
MAR-TRE-4f781e27-48
0.306
MAR-TRE-c317dd82-74
0.306
MAR-TRE-e82e6c98-53
0.306
MAR-TRE-a9136c7b-80
0.306
MAR-TRE-a9136c7b-96
0.306
MAR-TRE-8190bb11-39
0.306