Molecular Properties | |
SMILES: | CCN1C(=O)COC(CNC(=O)c2cncnc2)C1c1cncn1C |
MW: | 344.16 |
Fraction sp3: | 0.44 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 102.24 |
cLogP: | -0.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-37
0.711
MAR-TRE-be9ff7d2-24
0.709
MAR-TRE-be9ff7d2-100
0.646
MAR-TRE-e82e6c98-3
0.610
MAR-TRE-c317dd82-51
0.553
MAR-TRE-be9ff7d2-96
0.539
MAR-TRE-a9136c7b-83
0.446
MAR-TRE-e82e6c98-62
0.444
MAR-TRE-e82e6c98-4
0.441
MAR-TRE-be9ff7d2-33
0.388
MAR-TRE-c317dd82-60
0.387
MAR-TRE-c317dd82-57
0.386
MAR-TRE-e82e6c98-49
0.379
MAR-TRE-8190bb11-46
0.374
MAR-TRE-e82e6c98-82
0.362
MAR-TRE-e82e6c98-10
0.355
MAR-TRE-e82e6c98-84
0.354
MAR-TRE-be9ff7d2-77
0.347
MAR-TRE-e82e6c98-12
0.344
MAR-TRE-be9ff7d2-92
0.344
MAR-TRE-799db12b-67
0.343
MAR-TRE-e82e6c98-40
0.340
MAR-TRE-c317dd82-50
0.340
MAR-TRE-a9136c7b-86
0.340
MAR-TRE-e82e6c98-48
0.337
MAR-TRE-e82e6c98-22
0.337
MAR-TRE-e82e6c98-61
0.333
MAR-TRE-c317dd82-20
0.327
MAR-TRE-c317dd82-83
0.327
MAR-TRE-be9ff7d2-51
0.323
MAR-TRE-c317dd82-33
0.323
MAR-TRE-4f781e27-92
0.323
MAR-TRE-e82e6c98-47
0.322
MAR-TRE-e82e6c98-26
0.318
MAR-TRE-799db12b-18
0.317
MAR-TRE-c317dd82-85
0.316
MAR-TRE-4f781e27-88
0.316
MAR-TRE-e82e6c98-64
0.316
MAR-TRE-a9136c7b-2
0.313
MAR-TRE-be9ff7d2-55
0.312
MAR-TRE-e82e6c98-36
0.312
MAR-TRE-8190bb11-33
0.312
MAR-TRE-a9136c7b-85
0.310
MAR-TRE-c317dd82-11
0.310
MAR-TRE-e82e6c98-96
0.310
MAR-TRE-e82e6c98-6
0.309
MAR-TRE-c317dd82-6
0.309
MAR-TRE-a9136c7b-95
0.306
MAR-TRE-4f781e27-7
0.305
MAR-TRE-4f781e27-8
0.304
MAR-TRE-a9136c7b-63
0.304
MAR-TRE-799db12b-11
0.303
MAR-TRE-c317dd82-5
0.303
MAR-TRE-be9ff7d2-95
0.303
MAR-TRE-799db12b-69
0.303
MAR-TRE-be9ff7d2-47
0.302
MAR-TRE-4f781e27-65
0.302
MAR-TRE-799db12b-7
0.302
MAR-TRE-c317dd82-64
0.302
MAR-TRE-e82e6c98-2
0.302
MAR-TRE-e82e6c98-5
0.302
MAR-TRE-c317dd82-29
0.302
MAR-TRE-be9ff7d2-41
0.300
MAR-TRE-be9ff7d2-82
0.299
MAR-TRE-4f781e27-76
0.298
MAR-TRE-c317dd82-34
0.298
MAR-TRE-e82e6c98-56
0.298
MAR-TRE-c317dd82-40
0.298
MAR-TRE-e82e6c98-35
0.298
MAR-TRE-9d18ae8c-65
0.297
MAR-TRE-e82e6c98-71
0.297
MAR-TRE-a9136c7b-47
0.296
MAR-TRE-4f781e27-97
0.296
MAR-TRE-e82e6c98-60
0.295
MAR-TRE-be9ff7d2-52
0.294
MAR-TRE-a9136c7b-29
0.294
MAR-TRE-8190bb11-9
0.294
MAR-TRE-be9ff7d2-13
0.293
MAR-TRE-c317dd82-55
0.293
MAR-TRE-66ac689e-91
0.293
MAR-TRE-be9ff7d2-99
0.293
MAR-TRE-c317dd82-69
0.293
MAR-TRE-e82e6c98-77
0.292
MAR-TRE-66ac689e-21
0.292
MAR-TRE-8190bb11-30
0.292
MAR-TRE-4f781e27-77
0.292
MAR-TRE-c317dd82-4
0.292
MAR-TRE-be9ff7d2-14
0.292
MAR-TRE-e82e6c98-8
0.292
MAR-TRE-be9ff7d2-19
0.290
MAR-TRE-799db12b-13
0.290
MAR-TRE-a9136c7b-72
0.290
MAR-TRE-e82e6c98-72
0.289
MAR-TRE-c317dd82-81
0.289
MAR-TRE-799db12b-22
0.289
MAR-TRE-66ac689e-29
0.289
MAR-TRE-66ac689e-67
0.289
MAR-TRE-9d18ae8c-81
0.289
MAR-TRE-be9ff7d2-81
0.289
MAR-TRE-8190bb11-82
0.287