Molecular Properties | |
SMILES: | O=C(NCc1nnc2n1CC(C(=O)O)C2)c1cncnc1 |
MW: | 288.1 |
Fraction sp3: | 0.33 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 122.89 |
cLogP: | -0.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-83
0.622
MAR-TRE-4f781e27-65
0.554
MAR-TRE-be9ff7d2-92
0.456
MAR-TRE-e82e6c98-64
0.438
MAR-TRE-e82e6c98-22
0.416
MAR-TRE-92684b97-52
0.400
MAR-TRE-be9ff7d2-60
0.398
MAR-TRE-be9ff7d2-89
0.395
MAR-TRE-c317dd82-74
0.393
MAR-TRE-e82e6c98-97
0.393
MAR-TRE-8190bb11-73
0.390
MAR-TRE-8190bb11-46
0.369
MAR-TRE-92684b97-78
0.365
MAR-TRE-8190bb11-42
0.359
MAR-TRE-e82e6c98-16
0.358
MAR-TRE-799db12b-89
0.357
MAR-TRE-be9ff7d2-67
0.356
MAR-TRE-e82e6c98-12
0.354
MAR-TRE-799db12b-52
0.353
MAR-TRE-799db12b-11
0.352
MAR-TRE-e82e6c98-68
0.351
MAR-TRE-92684b97-75
0.350
MAR-TRE-8190bb11-50
0.350
MAR-TRE-e82e6c98-35
0.349
MAR-TRE-e82e6c98-85
0.348
MAR-TRE-8190bb11-99
0.348
MAR-TRE-799db12b-70
0.345
MAR-TRE-9d18ae8c-84
0.345
MAR-TRE-66ac689e-20
0.345
MAR-TRE-c317dd82-11
0.344
MAR-TRE-be9ff7d2-11
0.342
MAR-TRE-92684b97-74
0.342
MAR-TRE-4f781e27-28
0.341
MAR-TRE-be9ff7d2-14
0.341
MAR-TRE-66ac689e-21
0.341
MAR-TRE-e82e6c98-93
0.341
MAR-TRE-be9ff7d2-99
0.341
MAR-TRE-a9136c7b-17
0.341
MAR-TRE-8190bb11-85
0.338
MAR-TRE-8190bb11-24
0.338
MAR-TRE-e82e6c98-23
0.338
MAR-TRE-4f781e27-99
0.338
MAR-TRE-9d18ae8c-89
0.338
MAR-TRE-66ac689e-26
0.337
MAR-TRE-be9ff7d2-34
0.337
MAR-TRE-e82e6c98-5
0.337
MAR-TRE-799db12b-7
0.337
MAR-TRE-66ac689e-29
0.337
MAR-TRE-be9ff7d2-81
0.337
MAR-TRE-c317dd82-29
0.333
MAR-TRE-be9ff7d2-82
0.333
MAR-TRE-799db12b-48
0.333
MAR-TRE-be9ff7d2-1
0.333
MAR-TRE-92684b97-64
0.333
MAR-TRE-e82e6c98-25
0.333
MAR-TRE-e82e6c98-56
0.333
MAR-TRE-a9136c7b-6
0.333
MAR-TRE-799db12b-65
0.333
MAR-TRE-4f781e27-38
0.333
MAR-TRE-92684b97-44
0.333
MAR-TRE-9d18ae8c-34
0.333
MAR-TRE-c317dd82-32
0.330
MAR-TRE-9d18ae8c-65
0.330
MAR-TRE-66ac689e-47
0.330
MAR-TRE-e82e6c98-6
0.330
MAR-TRE-799db12b-72
0.330
MAR-TRE-e82e6c98-60
0.329
MAR-TRE-66ac689e-66
0.329
MAR-TRE-e82e6c98-48
0.329
MAR-TRE-92684b97-11
0.329
MAR-TRE-92684b97-72
0.329
MAR-TRE-c317dd82-55
0.329
MAR-TRE-8190bb11-13
0.329
MAR-TRE-be9ff7d2-90
0.329
MAR-TRE-be9ff7d2-59
0.327
MAR-TRE-c317dd82-49
0.326
MAR-TRE-9d18ae8c-16
0.326
MAR-TRE-e82e6c98-82
0.326
MAR-TRE-be9ff7d2-77
0.326
MAR-TRE-be9ff7d2-19
0.325
MAR-TRE-a9136c7b-54
0.325
MAR-TRE-e82e6c98-57
0.325
MAR-TRE-be9ff7d2-49
0.325
MAR-TRE-a9136c7b-14
0.323
MAR-TRE-4f781e27-8
0.323
MAR-TRE-a9136c7b-83
0.323
MAR-TRE-799db12b-69
0.322
MAR-TRE-c317dd82-5
0.322
MAR-TRE-c317dd82-60
0.322
MAR-TRE-c317dd82-81
0.322
MAR-TRE-4f781e27-88
0.322
MAR-TRE-9d18ae8c-81
0.322
MAR-TRE-8190bb11-81
0.321
MAR-TRE-8190bb11-82
0.321
MAR-TRE-4f781e27-84
0.321
MAR-TRE-799db12b-35
0.321
MAR-TRE-799db12b-1
0.319
MAR-TRE-a9136c7b-31
0.319
MAR-TRE-799db12b-14
0.319
MAR-TRE-799db12b-98
0.319