Molecular Properties | |
SMILES: | Cn1cc(C(NC(=O)c2cncnc2)c2ncon2)cn1 |
MW: | 285.1 |
Fraction sp3: | 0.17 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 111.62 |
cLogP: | 0.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-97
0.657
MAR-TRE-a9136c7b-77
0.562
MAR-TRE-be9ff7d2-47
0.457
MAR-TRE-66ac689e-60
0.446
MAR-TRE-a9136c7b-93
0.425
MAR-TRE-4f781e27-51
0.412
MAR-TRE-66ac689e-94
0.412
MAR-TRE-66ac689e-64
0.407
MAR-TRE-66ac689e-100
0.405
MAR-TRE-a9136c7b-21
0.404
MAR-TRE-66ac689e-82
0.395
MAR-TRE-e82e6c98-30
0.387
MAR-TRE-66ac689e-85
0.383
MAR-TRE-be9ff7d2-97
0.378
MAR-TRE-a9136c7b-35
0.376
MAR-TRE-a9136c7b-26
0.375
MAR-TRE-66ac689e-56
0.373
MAR-TRE-8190bb11-89
0.373
MAR-TRE-799db12b-28
0.365
MAR-TRE-c317dd82-96
0.364
MAR-TRE-66ac689e-36
0.360
MAR-TRE-66ac689e-42
0.358
MAR-TRE-799db12b-85
0.352
MAR-TRE-66ac689e-58
0.351
MAR-TRE-92684b97-77
0.350
MAR-TRE-e82e6c98-71
0.350
MAR-TRE-66ac689e-71
0.349
MAR-TRE-9d18ae8c-37
0.349
MAR-TRE-a9136c7b-74
0.349
MAR-TRE-be9ff7d2-16
0.346
MAR-TRE-e82e6c98-100
0.346
MAR-TRE-9d18ae8c-67
0.346
MAR-TRE-9d18ae8c-41
0.345
MAR-TRE-799db12b-19
0.344
MAR-TRE-c317dd82-54
0.341
MAR-TRE-4f781e27-68
0.341
MAR-TRE-799db12b-31
0.341
MAR-TRE-be9ff7d2-77
0.341
MAR-TRE-9d18ae8c-85
0.338
MAR-TRE-92684b97-15
0.337
MAR-TRE-a9136c7b-62
0.337
MAR-TRE-a9136c7b-52
0.337
MAR-TRE-8190bb11-5
0.333
MAR-TRE-9d18ae8c-99
0.333
MAR-TRE-799db12b-78
0.330
MAR-TRE-4f781e27-20
0.330
MAR-TRE-9d18ae8c-22
0.330
MAR-TRE-a9136c7b-70
0.329
MAR-TRE-c317dd82-48
0.329
MAR-TRE-92684b97-100
0.326
MAR-TRE-e82e6c98-52
0.326
MAR-TRE-799db12b-55
0.325
MAR-TRE-4f781e27-14
0.325
MAR-TRE-66ac689e-57
0.325
MAR-TRE-799db12b-8
0.322
MAR-TRE-66ac689e-61
0.322
MAR-TRE-8190bb11-56
0.321
MAR-TRE-4f781e27-45
0.321
MAR-TRE-8190bb11-47
0.321
MAR-TRE-9d18ae8c-87
0.321
MAR-TRE-9d18ae8c-26
0.319
MAR-TRE-92684b97-18
0.318
MAR-TRE-be9ff7d2-55
0.318
MAR-TRE-e82e6c98-59
0.318
MAR-TRE-92684b97-36
0.318
MAR-TRE-92684b97-84
0.318
MAR-TRE-9d18ae8c-4
0.318
MAR-TRE-8190bb11-67
0.318
MAR-TRE-9d18ae8c-57
0.318
MAR-TRE-e82e6c98-34
0.318
MAR-TRE-66ac689e-84
0.318
MAR-TRE-be9ff7d2-3
0.317
MAR-TRE-66ac689e-3
0.317
MAR-TRE-4f781e27-24
0.317
MAR-TRE-799db12b-61
0.317
MAR-TRE-92684b97-63
0.316
MAR-TRE-e82e6c98-43
0.316
MAR-TRE-66ac689e-62
0.316
MAR-TRE-4f781e27-70
0.316
MAR-TRE-9d18ae8c-59
0.316
MAR-TRE-c317dd82-41
0.316
MAR-TRE-e82e6c98-49
0.315
MAR-TRE-92684b97-12
0.315
MAR-TRE-a9136c7b-69
0.315
MAR-TRE-a9136c7b-71
0.315
MAR-TRE-8190bb11-17
0.315
MAR-TRE-8190bb11-93
0.315
MAR-TRE-92684b97-16
0.315
MAR-TRE-c317dd82-24
0.314
MAR-TRE-66ac689e-66
0.314
MAR-TRE-66ac689e-95
0.313
MAR-TRE-92684b97-56
0.312
MAR-TRE-be9ff7d2-48
0.312
MAR-TRE-92684b97-87
0.312
MAR-TRE-799db12b-99
0.311
MAR-TRE-92684b97-98
0.311
MAR-TRE-9d18ae8c-1
0.311
MAR-TRE-66ac689e-79
0.310
MAR-TRE-66ac689e-93
0.310
MAR-TRE-c317dd82-94
0.310