Molecular Properties | |
SMILES: | CC(C)(C)c1n[nH]c(C2(CNC(=O)c3cncnc3)CCOCC2)n1 |
MW: | 344.2 |
Fraction sp3: | 0.59 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 105.68 |
cLogP: | 1.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-47
0.641
MAR-TRE-c317dd82-37
0.558
MAR-TRE-c317dd82-25
0.544
MAR-TRE-c317dd82-12
0.531
MAR-TRE-c317dd82-86
0.519
MAR-TRE-a9136c7b-7
0.500
MAR-TRE-4f781e27-53
0.448
MAR-TRE-be9ff7d2-54
0.412
MAR-TRE-c317dd82-31
0.375
MAR-TRE-92684b97-14
0.372
MAR-TRE-8190bb11-39
0.371
MAR-TRE-92684b97-52
0.358
MAR-TRE-9d18ae8c-13
0.356
MAR-TRE-be9ff7d2-79
0.352
MAR-TRE-e82e6c98-55
0.349
MAR-TRE-be9ff7d2-66
0.349
MAR-TRE-be9ff7d2-70
0.349
MAR-TRE-be9ff7d2-2
0.348
MAR-TRE-c317dd82-40
0.345
MAR-TRE-9d18ae8c-66
0.340
MAR-TRE-4f781e27-22
0.337
MAR-TRE-c317dd82-62
0.337
MAR-TRE-e82e6c98-66
0.333
MAR-TRE-a9136c7b-97
0.333
MAR-TRE-e82e6c98-40
0.330
MAR-TRE-e82e6c98-56
0.330
MAR-TRE-e82e6c98-15
0.329
MAR-TRE-c317dd82-6
0.326
MAR-TRE-be9ff7d2-76
0.326
MAR-TRE-a9136c7b-17
0.323
MAR-TRE-c317dd82-4
0.322
MAR-TRE-e82e6c98-1
0.322
MAR-TRE-a9136c7b-27
0.319
MAR-TRE-8190bb11-85
0.317
MAR-TRE-799db12b-64
0.316
MAR-TRE-e82e6c98-36
0.315
MAR-TRE-8190bb11-2
0.313
MAR-TRE-c317dd82-11
0.312
MAR-TRE-be9ff7d2-51
0.312
MAR-TRE-e82e6c98-6
0.312
MAR-TRE-799db12b-54
0.311
MAR-TRE-8190bb11-20
0.311
MAR-TRE-c317dd82-49
0.310
MAR-TRE-c317dd82-68
0.309
MAR-TRE-be9ff7d2-99
0.309
MAR-TRE-66ac689e-5
0.308
MAR-TRE-e82e6c98-2
0.304
MAR-TRE-c317dd82-81
0.304
MAR-TRE-e82e6c98-76
0.302
MAR-TRE-c317dd82-50
0.302
MAR-TRE-8190bb11-24
0.301
MAR-TRE-be9ff7d2-60
0.301
MAR-TRE-c317dd82-22
0.300
MAR-TRE-e82e6c98-34
0.300
MAR-TRE-c317dd82-32
0.300
MAR-TRE-4f781e27-76
0.300
MAR-TRE-92684b97-19
0.300
MAR-TRE-4f781e27-33
0.299
MAR-TRE-66ac689e-59
0.299
MAR-TRE-be9ff7d2-1
0.299
MAR-TRE-e82e6c98-71
0.299
MAR-TRE-e82e6c98-83
0.299
MAR-TRE-9d18ae8c-55
0.298
MAR-TRE-e82e6c98-68
0.298
MAR-TRE-4f781e27-92
0.297
MAR-TRE-e82e6c98-3
0.296
MAR-TRE-799db12b-84
0.295
MAR-TRE-c317dd82-55
0.295
MAR-TRE-92684b97-11
0.295
MAR-TRE-92684b97-95
0.295
MAR-TRE-be9ff7d2-16
0.295
MAR-TRE-be9ff7d2-69
0.295
MAR-TRE-be9ff7d2-72
0.295
MAR-TRE-be9ff7d2-77
0.295
MAR-TRE-c317dd82-96
0.294
MAR-TRE-e82e6c98-77
0.294
MAR-TRE-e82e6c98-18
0.293
MAR-TRE-4f781e27-35
0.293
MAR-TRE-c317dd82-67
0.293
MAR-TRE-66ac689e-12
0.292
MAR-TRE-e82e6c98-16
0.292
MAR-TRE-c317dd82-29
0.291
MAR-TRE-be9ff7d2-11
0.291
MAR-TRE-be9ff7d2-49
0.291
MAR-TRE-be9ff7d2-81
0.290
MAR-TRE-e82e6c98-64
0.290
MAR-TRE-66ac689e-67
0.290
MAR-TRE-4f781e27-88
0.290
MAR-TRE-e82e6c98-4
0.290
MAR-TRE-9d18ae8c-61
0.289
MAR-TRE-be9ff7d2-40
0.289
MAR-TRE-4f781e27-16
0.289
MAR-TRE-c317dd82-8
0.287
MAR-TRE-4f781e27-84
0.287
MAR-TRE-4f781e27-99
0.287
MAR-TRE-e82e6c98-23
0.287
MAR-TRE-9d18ae8c-85
0.287
MAR-TRE-be9ff7d2-41
0.287
MAR-TRE-e82e6c98-10
0.287
MAR-TRE-799db12b-59
0.287