Molecular Properties | |
SMILES: | CC1Cc2nnc(CNC(=O)c3cncnc3)n2CC(C)O1 |
MW: | 302.15 |
Fraction sp3: | 0.5 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 94.82 |
cLogP: | 0.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-8
0.622
MAR-TRE-4f781e27-65
0.494
MAR-TRE-be9ff7d2-92
0.440
MAR-TRE-e82e6c98-64
0.407
MAR-TRE-c317dd82-74
0.382
MAR-TRE-e82e6c98-97
0.382
MAR-TRE-8190bb11-73
0.379
MAR-TRE-be9ff7d2-60
0.371
MAR-TRE-be9ff7d2-89
0.368
MAR-TRE-be9ff7d2-11
0.349
MAR-TRE-799db12b-89
0.348
MAR-TRE-8190bb11-24
0.346
MAR-TRE-4f781e27-99
0.345
MAR-TRE-e82e6c98-12
0.345
MAR-TRE-8190bb11-46
0.344
MAR-TRE-be9ff7d2-81
0.344
MAR-TRE-799db12b-11
0.344
MAR-TRE-9d18ae8c-34
0.340
MAR-TRE-92684b97-78
0.338
MAR-TRE-9d18ae8c-84
0.337
MAR-TRE-c317dd82-11
0.337
MAR-TRE-e82e6c98-67
0.337
MAR-TRE-e82e6c98-16
0.333
MAR-TRE-be9ff7d2-74
0.333
MAR-TRE-be9ff7d2-99
0.333
MAR-TRE-a9136c7b-17
0.333
MAR-TRE-a9136c7b-54
0.333
MAR-TRE-799db12b-16
0.333
MAR-TRE-9d18ae8c-16
0.333
MAR-TRE-be9ff7d2-26
0.333
MAR-TRE-be9ff7d2-59
0.333
MAR-TRE-c317dd82-60
0.330
MAR-TRE-799db12b-69
0.330
MAR-TRE-e82e6c98-5
0.330
MAR-TRE-799db12b-52
0.330
MAR-TRE-8190bb11-85
0.329
MAR-TRE-be9ff7d2-67
0.329
MAR-TRE-799db12b-4
0.327
MAR-TRE-be9ff7d2-80
0.327
MAR-TRE-66ac689e-54
0.326
MAR-TRE-799db12b-64
0.326
MAR-TRE-e82e6c98-37
0.326
MAR-TRE-be9ff7d2-55
0.326
MAR-TRE-9d18ae8c-54
0.326
MAR-TRE-a9136c7b-100
0.326
MAR-TRE-e82e6c98-35
0.326
MAR-TRE-66ac689e-73
0.326
MAR-TRE-66ac689e-37
0.326
MAR-TRE-8190bb11-50
0.326
MAR-TRE-be9ff7d2-1
0.326
MAR-TRE-e82e6c98-68
0.325
MAR-TRE-9d18ae8c-65
0.323
MAR-TRE-66ac689e-47
0.323
MAR-TRE-8190bb11-80
0.323
MAR-TRE-9d18ae8c-30
0.323
MAR-TRE-9d18ae8c-36
0.323
MAR-TRE-9d18ae8c-55
0.323
MAR-TRE-c317dd82-33
0.323
MAR-TRE-e82e6c98-91
0.322
MAR-TRE-e82e6c98-60
0.322
MAR-TRE-9d18ae8c-53
0.322
MAR-TRE-a9136c7b-24
0.322
MAR-TRE-e82e6c98-22
0.322
MAR-TRE-c317dd82-55
0.322
MAR-TRE-e82e6c98-48
0.322
MAR-TRE-8190bb11-13
0.321
MAR-TRE-92684b97-52
0.321
MAR-TRE-e82e6c98-3
0.320
MAR-TRE-66ac689e-21
0.319
MAR-TRE-be9ff7d2-35
0.319
MAR-TRE-e82e6c98-93
0.319
MAR-TRE-799db12b-27
0.319
MAR-TRE-4f781e27-22
0.318
MAR-TRE-be9ff7d2-49
0.318
MAR-TRE-e82e6c98-57
0.318
MAR-TRE-92684b97-74
0.318
MAR-TRE-e82e6c98-72
0.318
MAR-TRE-c317dd82-31
0.317
MAR-TRE-c317dd82-67
0.316
MAR-TRE-4f781e27-8
0.316
MAR-TRE-a9136c7b-83
0.316
MAR-TRE-799db12b-51
0.316
MAR-TRE-c317dd82-5
0.316
MAR-TRE-be9ff7d2-95
0.316
MAR-TRE-8190bb11-8
0.316
MAR-TRE-66ac689e-29
0.315
MAR-TRE-4f781e27-88
0.315
MAR-TRE-9d18ae8c-81
0.315
MAR-TRE-c317dd82-81
0.315
MAR-TRE-799db12b-7
0.315
MAR-TRE-66ac689e-26
0.315
MAR-TRE-8190bb11-82
0.315
MAR-TRE-be9ff7d2-34
0.315
MAR-TRE-be9ff7d2-25
0.314
MAR-TRE-799db12b-35
0.314
MAR-TRE-8190bb11-99
0.313
MAR-TRE-799db12b-14
0.312
MAR-TRE-799db12b-98
0.312
MAR-TRE-799db12b-65
0.312
MAR-TRE-4f781e27-75
0.312