Molecular Properties | |
SMILES: | CCn1ncc2c(NC3CCOCC3)c(CNC(=O)c3cncnc3)c(C)nc21 |
MW: | 395.21 |
Fraction sp3: | 0.45 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 106.85 |
cLogP: | 2.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-67
0.362
MAR-TRE-be9ff7d2-60
0.360
MAR-TRE-e82e6c98-6
0.343
MAR-TRE-be9ff7d2-11
0.340
MAR-TRE-92684b97-74
0.340
MAR-TRE-be9ff7d2-67
0.337
MAR-TRE-e82e6c98-12
0.337
MAR-TRE-be9ff7d2-96
0.336
MAR-TRE-c317dd82-81
0.324
MAR-TRE-be9ff7d2-81
0.324
MAR-TRE-9d18ae8c-74
0.323
MAR-TRE-e82e6c98-35
0.320
MAR-TRE-4f781e27-100
0.320
MAR-TRE-e82e6c98-56
0.320
MAR-TRE-e82e6c98-68
0.319
MAR-TRE-be9ff7d2-69
0.316
MAR-TRE-be9ff7d2-99
0.314
MAR-TRE-a9136c7b-17
0.314
MAR-TRE-8190bb11-73
0.314
MAR-TRE-be9ff7d2-29
0.311
MAR-TRE-e82e6c98-64
0.311
MAR-TRE-92684b97-96
0.311
MAR-TRE-4f781e27-99
0.309
MAR-TRE-e82e6c98-23
0.309
MAR-TRE-799db12b-64
0.308
MAR-TRE-be9ff7d2-82
0.308
MAR-TRE-c317dd82-32
0.306
MAR-TRE-c317dd82-11
0.306
MAR-TRE-c317dd82-10
0.305
MAR-TRE-a9136c7b-24
0.304
MAR-TRE-e82e6c98-91
0.304
MAR-TRE-c317dd82-49
0.304
MAR-TRE-c317dd82-55
0.303
MAR-TRE-be9ff7d2-16
0.303
MAR-TRE-e82e6c98-48
0.303
MAR-TRE-e82e6c98-75
0.303
MAR-TRE-be9ff7d2-12
0.301
MAR-TRE-799db12b-89
0.301
MAR-TRE-be9ff7d2-35
0.301
MAR-TRE-e82e6c98-16
0.300
MAR-TRE-799db12b-7
0.298
MAR-TRE-c317dd82-37
0.298
MAR-TRE-be9ff7d2-54
0.298
MAR-TRE-e82e6c98-5
0.298
MAR-TRE-e82e6c98-4
0.297
MAR-TRE-e82e6c98-29
0.297
MAR-TRE-8190bb11-81
0.297
MAR-TRE-c317dd82-83
0.296
MAR-TRE-66ac689e-74
0.295
MAR-TRE-e82e6c98-10
0.295
MAR-TRE-a9136c7b-100
0.295
MAR-TRE-8190bb11-85
0.295
MAR-TRE-c317dd82-27
0.295
MAR-TRE-e82e6c98-67
0.295
MAR-TRE-c317dd82-75
0.295
MAR-TRE-e82e6c98-79
0.294
MAR-TRE-66ac689e-69
0.294
MAR-TRE-be9ff7d2-1
0.293
MAR-TRE-be9ff7d2-51
0.292
MAR-TRE-c317dd82-25
0.292
MAR-TRE-e82e6c98-60
0.291
MAR-TRE-e82e6c98-3
0.291
MAR-TRE-c317dd82-31
0.289
MAR-TRE-8190bb11-13
0.289
MAR-TRE-c317dd82-4
0.288
MAR-TRE-e82e6c98-18
0.288
MAR-TRE-e82e6c98-61
0.288
MAR-TRE-a9136c7b-50
0.288
MAR-TRE-be9ff7d2-98
0.287
MAR-TRE-a9136c7b-54
0.287
MAR-TRE-c317dd82-12
0.287
MAR-TRE-be9ff7d2-91
0.287
MAR-TRE-799db12b-11
0.287
MAR-TRE-8190bb11-31
0.287
MAR-TRE-be9ff7d2-92
0.286
MAR-TRE-e82e6c98-95
0.286
MAR-TRE-799db12b-52
0.286
MAR-TRE-4f781e27-88
0.286
MAR-TRE-8190bb11-27
0.286
MAR-TRE-799db12b-65
0.284
MAR-TRE-c317dd82-50
0.284
MAR-TRE-e82e6c98-62
0.284
MAR-TRE-be9ff7d2-34
0.284
MAR-TRE-be9ff7d2-66
0.284
MAR-TRE-8190bb11-82
0.284
MAR-TRE-be9ff7d2-24
0.283
MAR-TRE-be9ff7d2-100
0.283
MAR-TRE-92684b97-64
0.283
MAR-TRE-a9136c7b-18
0.282
MAR-TRE-a9136c7b-7
0.282
MAR-TRE-e82e6c98-34
0.282
MAR-TRE-c317dd82-34
0.282
MAR-TRE-c317dd82-40
0.282
MAR-TRE-be9ff7d2-18
0.282
MAR-TRE-66ac689e-37
0.282
MAR-TRE-8190bb11-24
0.281
MAR-TRE-be9ff7d2-33
0.281
MAR-TRE-a9136c7b-11
0.281
MAR-TRE-c317dd82-33
0.280
MAR-TRE-799db12b-72
0.280