Molecular Properties | |
SMILES: | O=C(Nc1cnn(CC(=O)N2CCOCC2)c1)c1cncnc1 |
MW: | 316.13 |
Fraction sp3: | 0.36 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 102.24 |
cLogP: | -0.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-80
0.580
MAR-TRE-c317dd82-13
0.564
MAR-TRE-c317dd82-91
0.548
MAR-TRE-8190bb11-7
0.519
MAR-TRE-c317dd82-59
0.500
MAR-TRE-c317dd82-45
0.494
MAR-TRE-be9ff7d2-46
0.487
MAR-TRE-c317dd82-96
0.421
MAR-TRE-be9ff7d2-16
0.418
MAR-TRE-c317dd82-23
0.396
MAR-TRE-799db12b-34
0.379
MAR-TRE-4f781e27-67
0.375
MAR-TRE-66ac689e-61
0.372
MAR-TRE-8190bb11-100
0.360
MAR-TRE-a9136c7b-11
0.358
MAR-TRE-c317dd82-81
0.356
MAR-TRE-a9136c7b-65
0.348
MAR-TRE-c317dd82-27
0.333
MAR-TRE-c317dd82-18
0.333
MAR-TRE-be9ff7d2-44
0.333
MAR-TRE-c317dd82-10
0.330
MAR-TRE-a9136c7b-17
0.330
MAR-TRE-e82e6c98-52
0.330
MAR-TRE-4f781e27-12
0.329
MAR-TRE-a9136c7b-16
0.327
MAR-TRE-799db12b-17
0.326
MAR-TRE-e82e6c98-90
0.326
MAR-TRE-799db12b-64
0.323
MAR-TRE-e82e6c98-56
0.322
MAR-TRE-c317dd82-73
0.321
MAR-TRE-c317dd82-22
0.320
MAR-TRE-c317dd82-6
0.318
GIA-UNK-3f36037a-2
0.316
MAR-TRE-c317dd82-69
0.315
MAR-TRE-8190bb11-69
0.314
MAR-TRE-4f781e27-31
0.314
BEN-DND-93268d01-10
0.313
MAR-TRE-e82e6c98-5
0.311
MAR-TRE-66ac689e-34
0.311
MAR-TRE-9d18ae8c-58
0.310
MAR-TRE-66ac689e-51
0.310
MAR-TRE-e82e6c98-55
0.310
MAR-TRE-8190bb11-65
0.310
MAR-TRE-4f781e27-49
0.309
MAR-TRE-a9136c7b-38
0.308
MAR-TRE-799db12b-39
0.307
MAR-TRE-66ac689e-2
0.307
MAR-TRE-be9ff7d2-83
0.306
MAR-TRE-e82e6c98-19
0.306
MAR-TRE-e82e6c98-71
0.306
GIA-UNK-3f36037a-6
0.305
MAR-TRE-66ac689e-8
0.303
MAR-TRE-e82e6c98-65
0.302
MAR-TRE-be9ff7d2-52
0.302
MAR-TRE-799db12b-40
0.301
MAR-TRE-c317dd82-31
0.300
MAR-TRE-c317dd82-4
0.300
MAR-TRE-c317dd82-90
0.300
MAR-TRE-c317dd82-67
0.299
MAR-TRE-e82e6c98-1
0.299
MAK-UNK-748f8b7a-11
0.299
MAR-TRE-e82e6c98-26
0.298
MAR-TRE-66ac689e-31
0.297
MAR-TRE-66ac689e-40
0.297
MAR-TRE-4f781e27-13
0.297
MAR-TRE-799db12b-14
0.295
MAR-TRE-e82e6c98-62
0.295
MAR-TRE-be9ff7d2-25
0.294
MAR-TRE-dab8f6ea-29
0.294
MAR-TRE-c317dd82-63
0.294
MAR-TRE-66ac689e-88
0.294
MAR-TRE-9d18ae8c-15
0.294
MAR-TRE-be9ff7d2-60
0.293
MAR-TRE-e82e6c98-10
0.293
MAR-TRE-e82e6c98-38
0.293
MAR-TRE-e82e6c98-41
0.293
MAR-TRE-c317dd82-86
0.292
MAR-TRE-9d18ae8c-29
0.292
MAR-TRE-c317dd82-36
0.292
MAR-TRE-c317dd82-40
0.292
MAR-TRE-4f781e27-53
0.292
MAR-TRE-a9136c7b-57
0.290
MAR-TRE-799db12b-43
0.290
MAR-TRE-799db12b-93
0.290
ROB-UNI-b2e39629-11
0.290
MAR-TRE-be9ff7d2-33
0.290
MAR-TRE-be9ff7d2-36
0.289
MAR-TRE-be9ff7d2-94
0.289
MAR-TRE-799db12b-76
0.289
MAR-TRE-be9ff7d2-56
0.287
MAR-TRE-be9ff7d2-69
0.287
MAR-TRE-4f781e27-43
0.287
MAR-TRE-799db12b-25
0.287
MAR-TRE-be9ff7d2-35
0.286
MAR-TRE-e82e6c98-7
0.286
MAR-TRE-66ac689e-21
0.286
MAR-TRE-e82e6c98-47
0.286
LUI-IND-a1be81af-2
0.284
MAR-TRE-a9136c7b-76
0.284
MAR-TRE-799db12b-37
0.284