Molecular Properties | |
SMILES: | Cc1nc(C(NC(=O)c2cncnc2)c2ccc3c(c2)OCCO3)no1 |
MW: | 353.11 |
Fraction sp3: | 0.24 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 112.26 |
cLogP: | 1.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-94
0.610
MAR-TRE-a9136c7b-26
0.610
MAR-TRE-66ac689e-64
0.603
MAR-TRE-4f781e27-51
0.590
MAR-TRE-c317dd82-97
0.588
MAR-TRE-a9136c7b-74
0.494
MAR-TRE-66ac689e-36
0.488
MAR-TRE-799db12b-85
0.477
MAR-TRE-a9136c7b-62
0.416
MAR-TRE-a9136c7b-71
0.407
MAR-TRE-e82e6c98-31
0.404
MAR-TRE-a9136c7b-37
0.400
MAR-TRE-799db12b-53
0.398
MAR-TRE-66ac689e-19
0.394
MAR-TRE-8190bb11-17
0.362
MAR-TRE-799db12b-94
0.360
MAR-TRE-92684b97-77
0.352
MAR-TRE-9d18ae8c-37
0.352
MAR-TRE-8190bb11-67
0.351
MAR-TRE-9d18ae8c-4
0.351
MAR-TRE-92684b97-56
0.349
MAR-TRE-92684b97-95
0.348
MAR-TRE-66ac689e-82
0.348
MAR-TRE-9d18ae8c-22
0.347
MAR-TRE-be9ff7d2-47
0.345
MAR-TRE-66ac689e-57
0.345
MAR-TRE-66ac689e-42
0.344
MAR-TRE-c317dd82-100
0.344
MAR-TRE-4f781e27-68
0.344
MAR-TRE-a9136c7b-77
0.344
MAR-TRE-c317dd82-90
0.344
MAR-TRE-799db12b-31
0.344
MAR-TRE-92684b97-80
0.341
MAR-TRE-66ac689e-100
0.341
MAR-TRE-be9ff7d2-29
0.340
MAR-TRE-9d18ae8c-92
0.340
MAR-TRE-92684b97-1
0.340
MAR-TRE-9d18ae8c-59
0.337
MAR-TRE-66ac689e-58
0.337
MAR-TRE-66ac689e-18
0.337
MAR-TRE-66ac689e-3
0.337
MAR-TRE-799db12b-100
0.337
MAR-TRE-92684b97-36
0.337
MAR-TRE-a9136c7b-19
0.337
MAR-TRE-c317dd82-24
0.333
MAR-TRE-a9136c7b-69
0.333
MAR-TRE-799db12b-45
0.333
MAR-TRE-799db12b-58
0.333
MAR-TRE-92684b97-71
0.333
MAR-TRE-a9136c7b-35
0.333
MAR-TRE-9d18ae8c-41
0.333
MAR-TRE-66ac689e-95
0.333
MAR-TRE-4f781e27-20
0.333
MAR-TRE-9d18ae8c-1
0.330
MAR-TRE-a9136c7b-93
0.330
MAR-TRE-66ac689e-56
0.330
MAR-TRE-92684b97-100
0.330
MAR-TRE-799db12b-46
0.330
MAR-TRE-92684b97-86
0.330
MAR-TRE-799db12b-55
0.330
MAR-TRE-66ac689e-79
0.330
MAR-TRE-be9ff7d2-57
0.327
MAR-TRE-9d18ae8c-21
0.326
MAR-TRE-8190bb11-47
0.326
MAR-TRE-9d18ae8c-87
0.326
MAR-TRE-9d18ae8c-26
0.323
MAR-TRE-799db12b-28
0.323
MAR-TRE-66ac689e-85
0.323
MAR-TRE-8190bb11-5
0.322
MAR-TRE-92684b97-63
0.322
MAR-TRE-4f781e27-70
0.322
MAR-TRE-66ac689e-62
0.322
MAR-TRE-e82e6c98-43
0.322
MAR-TRE-9d18ae8c-3
0.320
MAR-TRE-799db12b-78
0.320
MAR-TRE-a9136c7b-49
0.319
MAR-TRE-799db12b-47
0.319
MAR-TRE-c317dd82-96
0.318
MAR-TRE-799db12b-62
0.316
MAR-TRE-c317dd82-62
0.316
MAR-TRE-8190bb11-89
0.316
MAR-TRE-66ac689e-80
0.315
MAR-TRE-9d18ae8c-40
0.315
MAR-TRE-92684b97-32
0.313
MAR-TRE-a9136c7b-59
0.312
MAR-TRE-799db12b-79
0.312
MAR-TRE-92684b97-85
0.312
MAR-TRE-e82e6c98-13
0.312
MAR-TRE-8190bb11-56
0.312
MAR-TRE-92684b97-15
0.312
MAR-TRE-8190bb11-11
0.311
MAR-TRE-e82e6c98-70
0.310
MAR-TRE-799db12b-82
0.309
MAR-TRE-92684b97-18
0.309
MAR-TRE-66ac689e-71
0.309
MAR-TRE-799db12b-50
0.309
MAR-TRE-66ac689e-22
0.309
MAR-TRE-9d18ae8c-99
0.309
MAR-TRE-be9ff7d2-3
0.308
MAR-TRE-799db12b-61
0.308