Molecular Properties | |
SMILES: | CCn1ccnc1C1NC(=O)CCC1NC(=O)c1cncnc1 |
MW: | 314.15 |
Fraction sp3: | 0.4 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 101.8 |
cLogP: | 0.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-a9136c7b-86
0.396
MAR-TRE-be9ff7d2-69
0.381
MAR-TRE-92684b97-57
0.380
MAR-TRE-92684b97-39
0.360
MAR-TRE-92684b97-62
0.360
MAR-TRE-be9ff7d2-30
0.360
MAR-TRE-a9136c7b-95
0.359
MAR-TRE-e82e6c98-81
0.349
MAR-TRE-e82e6c98-28
0.348
MAR-TRE-a9136c7b-96
0.348
MAR-TRE-a9136c7b-47
0.348
MAR-TRE-be9ff7d2-100
0.347
MAR-TRE-be9ff7d2-22
0.341
MAR-TRE-a9136c7b-2
0.337
MAR-TRE-c317dd82-18
0.333
MAR-TRE-be9ff7d2-42
0.333
MAR-TRE-e82e6c98-65
0.333
MAR-TRE-799db12b-92
0.333
MAR-TRE-be9ff7d2-52
0.330
MAR-TRE-c317dd82-65
0.327
MAR-TRE-a9136c7b-63
0.327
MAR-TRE-92684b97-28
0.326
MAR-TRE-c317dd82-8
0.326
MAR-TRE-e82e6c98-86
0.323
MAR-TRE-c317dd82-77
0.322
MAR-TRE-c317dd82-34
0.322
MAR-TRE-9d18ae8c-93
0.322
MAR-TRE-4f781e27-18
0.319
MAR-TRE-be9ff7d2-43
0.318
MAR-TRE-be9ff7d2-77
0.316
MAR-TRE-66ac689e-56
0.315
MAR-TRE-c317dd82-88
0.313
MAR-TRE-e82e6c98-2
0.312
MAR-TRE-a9136c7b-89
0.312
MAR-TRE-9d18ae8c-96
0.309
MAR-TRE-799db12b-28
0.309
MAR-TRE-c317dd82-14
0.309
MAR-TRE-a9136c7b-64
0.309
MAR-TRE-c317dd82-61
0.309
MAR-TRE-e82e6c98-44
0.308
MAR-TRE-66ac689e-85
0.308
MAR-TRE-9d18ae8c-29
0.308
MAR-TRE-66ac689e-2
0.308
MAR-TRE-e82e6c98-71
0.307
MAR-TRE-e82e6c98-96
0.306
MAR-TRE-9d18ae8c-76
0.306
MAR-TRE-8190bb11-93
0.305
MAR-TRE-e82e6c98-53
0.305
MAR-TRE-92684b97-52
0.302
MAR-TRE-c317dd82-89
0.302
MAR-TRE-e82e6c98-61
0.301
MAR-TRE-8190bb11-89
0.301
MAR-TRE-799db12b-29
0.300
MAR-TRE-4f781e27-22
0.300
MAR-TRE-92684b97-7
0.300
MAR-TRE-c317dd82-60
0.299
MAR-TRE-9d18ae8c-86
0.299
MAR-TRE-be9ff7d2-53
0.299
MAR-TRE-799db12b-57
0.299
MAR-TRE-c317dd82-20
0.298
MAR-TRE-4f781e27-13
0.298
MAR-TRE-4f781e27-59
0.298
MAR-TRE-c317dd82-44
0.298
MAR-TRE-c317dd82-80
0.298
MAR-TRE-9d18ae8c-90
0.298
MAR-TRE-e82e6c98-84
0.297
MAR-TRE-e82e6c98-21
0.297
MAR-TRE-8190bb11-41
0.297
MAR-TRE-c317dd82-50
0.296
MAR-TRE-9d18ae8c-15
0.295
MAR-TRE-e82e6c98-10
0.295
MAR-TRE-c317dd82-3
0.294
MAR-TRE-be9ff7d2-24
0.294
MAR-TRE-66ac689e-84
0.293
MAR-TRE-e82e6c98-34
0.293
MAR-TRE-e82e6c98-56
0.293
MAR-TRE-e82e6c98-49
0.293
MAR-TRE-a9136c7b-10
0.293
MAR-TRE-799db12b-19
0.293
MAR-TRE-c317dd82-46
0.292
MAR-TRE-a9136c7b-35
0.292
MAR-TRE-e82e6c98-22
0.289
MAR-TRE-be9ff7d2-8
0.289
MAR-TRE-e82e6c98-82
0.289
MAR-TRE-c317dd82-69
0.289
MAR-TRE-be9ff7d2-96
0.288
MAR-TRE-e82e6c98-7
0.287
MAR-TRE-4f781e27-56
0.287
MAR-TRE-92684b97-70
0.287
MAR-TRE-4f781e27-31
0.286
MAR-TRE-799db12b-71
0.286
MAR-TRE-8190bb11-46
0.284
MAR-TRE-9d18ae8c-38
0.284
MAR-TRE-be9ff7d2-20
0.284
MAR-TRE-8190bb11-61
0.283
MAR-TRE-92684b97-20
0.283
MAR-TRE-e82e6c98-67
0.282
MAR-TRE-e82e6c98-78
0.281
MAR-TRE-8190bb11-70
0.281
MAR-TRE-be9ff7d2-25
0.281