Molecular Properties | |
SMILES: | O=C(Nc1ccn(CC(=O)N2CCOCC2)n1)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-c317dd82-7
0.564
MAR-TRE-c317dd82-45
0.500
MAR-TRE-8190bb11-7
0.487
MAR-TRE-c317dd82-96
0.392
MAR-TRE-be9ff7d2-16
0.390
MAR-TRE-4f781e27-67
0.382
MAR-TRE-66ac689e-61
0.364
MAR-TRE-a9136c7b-65
0.356
MAR-TRE-799db12b-34
0.356
MAR-TRE-8190bb11-100
0.352
MAR-TRE-e82e6c98-55
0.349
MAR-TRE-c317dd82-23
0.344
MAR-TRE-a9136c7b-16
0.333
MAR-TRE-c317dd82-81
0.333
MAR-TRE-c317dd82-27
0.327
MAR-TRE-c317dd82-18
0.326
MAR-TRE-a9136c7b-17
0.323
MAR-TRE-e82e6c98-52
0.322
MAR-TRE-799db12b-64
0.316
MAR-TRE-be9ff7d2-46
0.315
MAR-TRE-a9136c7b-38
0.314
MAR-TRE-be9ff7d2-83
0.314
MAR-TRE-c317dd82-10
0.311
MAR-TRE-8190bb11-20
0.311
MAR-TRE-a9136c7b-11
0.310
MAR-TRE-c317dd82-69
0.309
MAK-UNK-748f8b7a-11
0.308
MAR-TRE-c317dd82-90
0.308
MAR-TRE-e82e6c98-1
0.307
MAR-TRE-799db12b-17
0.306
MAR-TRE-e82e6c98-74
0.306
MAR-TRE-e82e6c98-80
0.306
BEN-DND-93268d01-10
0.306
MAR-TRE-66ac689e-34
0.304
MAR-TRE-799db12b-63
0.303
MAR-TRE-9d18ae8c-58
0.303
MAR-TRE-dab8f6ea-29
0.302
MAR-TRE-c317dd82-22
0.300
MAR-TRE-c317dd82-73
0.299
MAR-TRE-a9136c7b-57
0.298
MAR-TRE-e82e6c98-65
0.295
MAR-TRE-be9ff7d2-44
0.295
MAR-TRE-66ac689e-21
0.293
GIA-UNK-3f36037a-2
0.293
MAR-TRE-c317dd82-91
0.292
MAR-TRE-a9136c7b-76
0.292
MAR-TRE-66ac689e-40
0.290
MAR-TRE-799db12b-52
0.290
MAR-TRE-e82e6c98-90
0.290
MAR-TRE-66ac689e-51
0.289
MAR-TRE-8190bb11-65
0.287
MAR-TRE-66ac689e-89
0.287
MAR-TRE-dab8f6ea-18
0.287
MAR-TRE-e82e6c98-56
0.286
MAR-TRE-c317dd82-40
0.286
MAR-TRE-66ac689e-2
0.286
MAR-TRE-4f781e27-53
0.286
ROB-UNI-b2e39629-11
0.284
MAR-TRE-dab8f6ea-20
0.284
MAR-TRE-799db12b-72
0.284
MAR-TRE-c317dd82-59
0.284
MAR-TRE-e82e6c98-19
0.284
MAR-TRE-e82e6c98-71
0.284
MAR-TRE-4f781e27-33
0.284
MAR-TRE-7f7bb9f0-65
0.283
DUN-NEW-f8ce3686-13
0.283
MAR-TRE-799db12b-54
0.283
MAR-TRE-c317dd82-31
0.282
MAR-TRE-799db12b-40
0.281
MAR-TRE-be9ff7d2-69
0.281
MAR-TRE-be9ff7d2-56
0.280
MAR-TRE-c317dd82-67
0.280
MAR-TRE-c317dd82-4
0.280
MAR-TRE-be9ff7d2-90
0.279
MAR-TRE-be9ff7d2-88
0.279
MAR-TRE-c317dd82-52
0.278
MAR-TRE-a9136c7b-27
0.278
LUI-IND-a1be81af-2
0.278
MAR-TRE-8190bb11-69
0.278
MAR-TRE-4f781e27-31
0.278
MAR-TRE-92684b97-78
0.277
MAR-TRE-66ac689e-7
0.277
MAR-TRE-a9136c7b-42
0.277
MAR-TRE-be9ff7d2-81
0.277
MAR-TRE-a9136c7b-89
0.277
MAR-TRE-66ac689e-31
0.277
MAR-TRE-be9ff7d2-20
0.276
MAR-TRE-4f781e27-12
0.276
MAR-TRE-66ac689e-54
0.276
MAK-UNK-f983951f-21
0.275
MAR-TRE-66ac689e-26
0.275
MAR-TRE-e82e6c98-66
0.275
MAR-TRE-8190bb11-81
0.275
MAR-TRE-8190bb11-56
0.275
MAR-TRE-9d18ae8c-61
0.274
MAR-TRE-e82e6c98-38
0.274
MAR-TRE-66ac689e-24
0.274
MAR-TRE-799db12b-60
0.274
MAR-TRE-a9136c7b-32
0.273
MAR-TRE-66ac689e-88
0.273