Molecular Properties | |
SMILES: | COc1ccc2nnc(CNC(=O)c3cncnc3)n2n1 |
MW: | 285.1 |
Fraction sp3: | 0.17 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 107.19 |
cLogP: | -0.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-74
0.644
MAR-TRE-8190bb11-73
0.463
MAR-TRE-be9ff7d2-89
0.450
MAR-TRE-e82e6c98-16
0.412
MAR-TRE-e82e6c98-8
0.393
MAR-TRE-be9ff7d2-92
0.388
MAR-TRE-e82e6c98-64
0.388
MAR-TRE-8190bb11-13
0.385
MAR-TRE-c317dd82-83
0.382
MAR-TRE-a9136c7b-80
0.379
MAR-TRE-4f781e27-83
0.379
MAR-TRE-8190bb11-24
0.377
MAR-TRE-92684b97-54
0.373
MAR-TRE-4f781e27-65
0.372
MAR-TRE-be9ff7d2-11
0.362
MAR-TRE-be9ff7d2-49
0.362
MAR-TRE-8190bb11-85
0.359
MAR-TRE-8190bb11-82
0.357
MAR-TRE-66ac689e-98
0.357
MAR-TRE-92684b97-96
0.356
MAR-TRE-8190bb11-50
0.354
MAR-TRE-8190bb11-34
0.352
MAR-TRE-92684b97-78
0.351
MAR-TRE-be9ff7d2-90
0.350
MAR-TRE-799db12b-84
0.349
MAR-TRE-a9136c7b-78
0.348
MAR-TRE-8190bb11-42
0.346
MAR-TRE-799db12b-16
0.345
MAR-TRE-92684b97-82
0.345
MAR-TRE-be9ff7d2-99
0.344
MAR-TRE-be9ff7d2-67
0.342
MAR-TRE-9d18ae8c-89
0.341
MAR-TRE-799db12b-35
0.341
MAR-TRE-4f781e27-99
0.341
MAR-TRE-be9ff7d2-40
0.341
MAR-TRE-e82e6c98-12
0.341
MAR-TRE-be9ff7d2-95
0.341
MAR-TRE-e82e6c98-68
0.338
MAR-TRE-4f781e27-58
0.337
MAR-TRE-e82e6c98-35
0.337
MAR-TRE-be9ff7d2-82
0.337
MAR-TRE-799db12b-33
0.337
MAR-TRE-a9136c7b-100
0.337
MAR-TRE-92684b97-64
0.337
MAR-TRE-799db12b-98
0.337
MAR-TRE-e82e6c98-25
0.337
MAR-TRE-e82e6c98-77
0.333
MAR-TRE-a9136c7b-5
0.333
MAR-TRE-c317dd82-32
0.333
MAR-TRE-9d18ae8c-30
0.333
MAR-TRE-c317dd82-11
0.333
MAR-TRE-c317dd82-55
0.333
MAR-TRE-e82e6c98-60
0.333
MAR-TRE-a9136c7b-24
0.333
MAR-TRE-799db12b-44
0.333
MAR-TRE-66ac689e-69
0.333
MAR-TRE-92684b97-11
0.333
MAR-TRE-8190bb11-68
0.333
MAR-TRE-e82e6c98-14
0.330
MAR-TRE-799db12b-89
0.330
MAR-TRE-a9136c7b-54
0.329
MAR-TRE-4f781e27-28
0.329
MAR-TRE-be9ff7d2-17
0.329
MAR-TRE-66ac689e-12
0.329
MAR-TRE-92684b97-74
0.329
MAR-TRE-66ac689e-57
0.329
MAR-TRE-e82e6c98-57
0.329
MAR-TRE-c317dd82-67
0.326
MAR-TRE-8190bb11-8
0.326
MAR-TRE-e82e6c98-5
0.326
MAR-TRE-9d18ae8c-81
0.326
MAR-TRE-799db12b-52
0.326
MAR-TRE-8190bb11-46
0.326
MAR-TRE-4f781e27-88
0.326
MAR-TRE-799db12b-87
0.326
MAR-TRE-c317dd82-81
0.326
MAR-TRE-66ac689e-26
0.326
MAR-TRE-8190bb11-81
0.326
MAR-TRE-e82e6c98-76
0.325
MAR-TRE-799db12b-14
0.323
MAR-TRE-be9ff7d2-60
0.322
MAR-TRE-9d18ae8c-54
0.322
MAR-TRE-e82e6c98-56
0.322
MAR-TRE-92684b97-44
0.322
MAR-TRE-be9ff7d2-18
0.322
MAR-TRE-66ac689e-37
0.322
MAR-TRE-66ac689e-73
0.322
MAR-TRE-4f781e27-100
0.322
MAR-TRE-be9ff7d2-1
0.321
MAR-TRE-a9136c7b-92
0.321
MAR-TRE-e82e6c98-67
0.320
MAR-TRE-799db12b-72
0.319
MAR-TRE-66ac689e-33
0.319
MAR-TRE-8190bb11-80
0.319
MAR-TRE-4f781e27-48
0.319
MAR-TRE-92684b97-46
0.319
MAR-TRE-9d18ae8c-55
0.319
MAR-TRE-799db12b-78
0.319
MAR-TRE-92684b97-14
0.318
MAR-TRE-9d18ae8c-84
0.318