Molecular Properties | |
SMILES: | CCN1C(=O)COC(CNC(=O)c2cncnc2)C1c1ccnn1C |
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-be9ff7d2-80
0.709
MAR-TRE-c317dd82-51
0.705
MAR-TRE-be9ff7d2-100
0.639
MAR-TRE-e82e6c98-62
0.617
MAR-TRE-e82e6c98-4
0.607
MAR-TRE-be9ff7d2-96
0.586
MAR-TRE-c317dd82-60
0.529
MAR-TRE-e82e6c98-37
0.523
MAR-TRE-e82e6c98-10
0.477
MAR-TRE-e82e6c98-3
0.446
MAR-TRE-c317dd82-64
0.400
MAR-TRE-be9ff7d2-33
0.398
MAR-TRE-e82e6c98-49
0.389
MAR-TRE-e82e6c98-84
0.378
MAR-TRE-e82e6c98-82
0.372
MAR-TRE-8190bb11-46
0.370
MAR-TRE-a9136c7b-86
0.365
MAR-TRE-4f781e27-92
0.363
MAR-TRE-be9ff7d2-77
0.358
MAR-TRE-799db12b-67
0.352
MAR-TRE-e82e6c98-96
0.347
MAR-TRE-be9ff7d2-47
0.345
MAR-TRE-4f781e27-88
0.340
MAR-TRE-c317dd82-50
0.337
MAR-TRE-c317dd82-20
0.337
MAR-TRE-e82e6c98-22
0.333
MAR-TRE-e82e6c98-48
0.333
MAR-TRE-e82e6c98-61
0.330
MAR-TRE-c317dd82-92
0.330
MAR-TRE-a9136c7b-83
0.327
MAR-TRE-c317dd82-5
0.327
MAR-TRE-be9ff7d2-92
0.326
MAR-TRE-e82e6c98-12
0.326
MAR-TRE-e82e6c98-40
0.323
MAR-TRE-e82e6c98-30
0.322
MAR-TRE-9d18ae8c-65
0.320
MAR-TRE-e82e6c98-6
0.320
MAR-TRE-be9ff7d2-51
0.320
MAR-TRE-66ac689e-20
0.319
MAR-TRE-e82e6c98-47
0.318
MAR-TRE-8190bb11-9
0.317
MAR-TRE-be9ff7d2-52
0.317
MAR-TRE-66ac689e-21
0.316
MAR-TRE-8190bb11-86
0.316
MAR-TRE-8190bb11-30
0.316
MAR-TRE-e82e6c98-26
0.315
MAR-TRE-799db12b-18
0.314
MAR-TRE-be9ff7d2-95
0.313
MAR-TRE-799db12b-69
0.313
MAR-TRE-799db12b-7
0.312
MAR-TRE-e82e6c98-5
0.312
MAR-TRE-66ac689e-26
0.312
MAR-TRE-9d18ae8c-58
0.312
MAR-TRE-c317dd82-29
0.311
MAR-TRE-4f781e27-99
0.311
MAR-TRE-a9136c7b-2
0.310
MAR-TRE-66ac689e-54
0.310
MAR-TRE-e82e6c98-36
0.309
MAR-TRE-e82e6c98-56
0.309
MAR-TRE-8190bb11-33
0.309
MAR-TRE-a9136c7b-4
0.308
MAR-TRE-a9136c7b-85
0.307
MAR-TRE-be9ff7d2-94
0.307
MAR-TRE-4f781e27-48
0.306
MAR-TRE-a9136c7b-47
0.306
MAR-TRE-c317dd82-33
0.306
MAR-TRE-c317dd82-6
0.305
MAR-TRE-be9ff7d2-97
0.305
MAR-TRE-be9ff7d2-13
0.304
MAR-TRE-be9ff7d2-87
0.304
MAR-TRE-8190bb11-13
0.303
MAR-TRE-a9136c7b-95
0.303
MAR-TRE-c317dd82-69
0.303
MAR-TRE-66ac689e-91
0.303
MAR-TRE-c317dd82-4
0.302
MAR-TRE-be9ff7d2-14
0.302
MAR-TRE-4f781e27-7
0.302
MAR-TRE-a9136c7b-63
0.301
MAR-TRE-4f781e27-8
0.301
MAR-TRE-c317dd82-85
0.300
MAR-TRE-e82e6c98-72
0.300
MAR-TRE-799db12b-11
0.300
MAR-TRE-a9136c7b-72
0.299
MAR-TRE-e82e6c98-2
0.299
MAR-TRE-66ac689e-29
0.299
MAR-TRE-66ac689e-67
0.299
MAR-TRE-e82e6c98-94
0.299
MAR-TRE-66ac689e-51
0.298
MAR-TRE-8190bb11-81
0.298
MAR-TRE-8190bb11-96
0.297
MAR-TRE-799db12b-35
0.297
MAR-TRE-be9ff7d2-25
0.297
MAR-TRE-be9ff7d2-41
0.297
MAR-TRE-c317dd82-72
0.296
MAR-TRE-be9ff7d2-46
0.296
MAR-TRE-c317dd82-61
0.296
MAR-TRE-be9ff7d2-55
0.296
MAR-TRE-8190bb11-24
0.295
MAR-TRE-8190bb11-85
0.295
MAR-TRE-e82e6c98-35
0.295