Molecular Properties | |
SMILES: | Cc1cc(O)n2nc(CNC(=O)c3cncnc3)nc2n1 |
MW: | 285.1 |
Fraction sp3: | 0.17 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 118.19 |
cLogP: | -0.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-26
0.417
MAR-TRE-f5c2d31c-98
0.384
MAR-TRE-be9ff7d2-67
0.384
MAR-TRE-e82e6c98-68
0.377
MAR-TRE-a9136c7b-100
0.372
MAR-TRE-be9ff7d2-11
0.367
MAR-TRE-e82e6c98-57
0.367
MAR-TRE-8190bb11-42
0.367
MAR-TRE-92684b97-74
0.367
MAR-TRE-be9ff7d2-99
0.364
MAR-TRE-be9ff7d2-40
0.361
MAR-TRE-8190bb11-82
0.361
MAR-TRE-8190bb11-8
0.360
MAR-TRE-f5c2d31c-95
0.359
MAR-TRE-be9ff7d2-1
0.358
MAR-TRE-92684b97-64
0.356
MAR-TRE-be9ff7d2-90
0.354
MAR-TRE-92684b97-11
0.354
MAR-TRE-66ac689e-12
0.349
MAR-TRE-be9ff7d2-17
0.349
MAR-TRE-799db12b-27
0.349
MAR-TRE-8190bb11-73
0.349
MAR-TRE-8190bb11-24
0.346
MAR-TRE-8190bb11-85
0.346
MAR-TRE-4f781e27-49
0.346
MAR-TRE-799db12b-35
0.346
MAR-TRE-c317dd82-63
0.346
MAR-TRE-e82e6c98-12
0.345
MAR-TRE-9d18ae8c-74
0.345
MAR-TRE-be9ff7d2-92
0.345
MAR-TRE-66ac689e-37
0.341
MAR-TRE-8190bb11-34
0.341
MAR-TRE-92684b97-78
0.338
MAR-TRE-8190bb11-13
0.338
MAR-TRE-799db12b-84
0.337
MAR-TRE-c317dd82-55
0.337
MAR-TRE-e82e6c98-91
0.337
MAR-TRE-e82e6c98-60
0.337
MAR-TRE-9d18ae8c-53
0.337
MAR-TRE-e82e6c98-97
0.337
MAR-TRE-8190bb11-80
0.337
MAR-TRE-c317dd82-74
0.337
MAR-TRE-e82e6c98-8
0.333
MAR-TRE-e82e6c98-16
0.333
MAR-TRE-e82e6c98-93
0.333
MAR-TRE-9d18ae8c-48
0.333
MAR-TRE-c317dd82-35
0.333
MAR-TRE-4f781e27-28
0.333
MAR-TRE-8190bb11-31
0.330
MAR-TRE-9d18ae8c-43
0.330
MAR-TRE-799db12b-7
0.330
MAR-TRE-8190bb11-46
0.330
MAR-TRE-e82e6c98-64
0.330
MAR-TRE-66ac689e-29
0.330
MAR-TRE-a9136c7b-28
0.329
MAR-TRE-8190bb11-81
0.329
MAR-TRE-92684b97-54
0.329
MAR-TRE-e82e6c98-23
0.329
MAR-TRE-4f781e27-99
0.329
MAR-TRE-8190bb11-27
0.326
MAR-TRE-799db12b-98
0.326
MAR-TRE-a9136c7b-51
0.326
MAR-TRE-799db12b-24
0.326
MAR-TRE-799db12b-48
0.326
MAR-TRE-799db12b-33
0.326
MAR-TRE-9d18ae8c-54
0.326
MAR-TRE-66ac689e-73
0.326
MAR-TRE-4f781e27-19
0.325
MAR-TRE-c317dd82-32
0.323
MAR-TRE-4f781e27-83
0.322
MAR-TRE-9d18ae8c-30
0.322
MAR-TRE-799db12b-44
0.322
MAR-TRE-a9136c7b-24
0.322
MAR-TRE-8190bb11-40
0.322
MAR-TRE-4f781e27-92
0.322
MAR-TRE-be9ff7d2-89
0.322
MAR-TRE-be9ff7d2-43
0.321
MAR-TRE-e82e6c98-75
0.321
MAR-TRE-4f781e27-43
0.321
MAR-TRE-e82e6c98-54
0.321
MAR-TRE-e82e6c98-77
0.321
MAR-TRE-c317dd82-49
0.320
MAR-TRE-e82e6c98-3
0.319
MAR-TRE-9c797165-14
0.319
MAR-TRE-8190bb11-83
0.319
MAR-TRE-92684b97-53
0.318
MAR-TRE-92684b97-82
0.318
MAR-TRE-799db12b-16
0.318
MAR-TRE-66ac689e-21
0.318
MAR-TRE-8190bb11-88
0.318
MAR-TRE-799db12b-89
0.318
MAR-TRE-be9ff7d2-98
0.318
MAR-TRE-a9136c7b-54
0.318
MAR-TRE-be9ff7d2-19
0.318
MAR-TRE-c317dd82-67
0.316
MAR-TRE-a9136c7b-76
0.315
MAR-TRE-799db12b-11
0.315
MAR-TRE-9d18ae8c-11
0.315
MAR-TRE-be9ff7d2-53
0.315
MAR-TRE-e82e6c98-5
0.315