Molecular Properties | |
SMILES: | O=C(Nc1nccc(N2CCCC(O)C2)n1)c1cncnc1 |
MW: | 300.13 |
Fraction sp3: | 0.36 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 104.13 |
cLogP: | 0.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-25
0.506
MAR-TRE-c317dd82-65
0.398
MAR-TRE-4f781e27-13
0.386
MAR-TRE-c317dd82-80
0.356
MAR-TRE-a9136c7b-42
0.341
MAR-TRE-66ac689e-31
0.341
MAR-TRE-a9136c7b-57
0.333
MAR-TRE-799db12b-89
0.330
MAR-TRE-a9136c7b-6
0.324
MAR-TRE-66ac689e-89
0.323
MAR-TRE-be9ff7d2-83
0.322
MAR-TRE-be9ff7d2-42
0.318
MAR-TRE-799db12b-40
0.316
MAR-TRE-799db12b-29
0.315
MAR-TRE-be9ff7d2-38
0.314
MAR-TRE-be9ff7d2-74
0.313
MAR-TRE-799db12b-17
0.313
MAR-TRE-66ac689e-40
0.312
MAR-TRE-66ac689e-76
0.312
MAR-TRE-799db12b-52
0.312
MAR-TRE-66ac689e-51
0.311
MAR-TRE-be9ff7d2-58
0.310
MAR-TRE-2fd8122f-8
0.310
MAR-TRE-66ac689e-24
0.309
MAR-TRE-c317dd82-30
0.309
MAR-TRE-e82e6c98-22
0.303
MAR-TRE-c317dd82-78
0.300
MAR-TRE-e82e6c98-74
0.299
MAR-TRE-a9136c7b-89
0.298
MAR-TRE-8190bb11-46
0.298
MAR-TRE-e82e6c98-21
0.297
MAR-TRE-92684b97-20
0.297
MAR-TRE-9d18ae8c-58
0.297
MAR-TRE-be9ff7d2-15
0.297
MAR-TRE-66ac689e-10
0.296
MAR-TRE-66ac689e-60
0.296
MAR-TRE-be9ff7d2-25
0.295
MAR-TRE-8190bb11-65
0.295
MAR-TRE-a9136c7b-44
0.295
MAR-TRE-9d18ae8c-2
0.293
MAR-TRE-9d18ae8c-57
0.293
MAR-TRE-66ac689e-2
0.293
MAR-TRE-be9ff7d2-23
0.292
MAR-TRE-9d18ae8c-76
0.291
MAR-TRE-66ac689e-43
0.290
MAR-TRE-9d18ae8c-67
0.289
MAR-TRE-799db12b-74
0.289
MAR-TRE-92684b97-66
0.287
MAR-TRE-be9ff7d2-88
0.287
MAR-TRE-92684b97-79
0.287
MAR-TRE-a9136c7b-41
0.287
MAR-TRE-e82e6c98-8
0.287
MAR-TRE-66ac689e-96
0.287
MAR-TRE-8190bb11-7
0.287
MAR-TRE-9d18ae8c-28
0.286
MAR-TRE-8190bb11-99
0.284
MAR-TRE-799db12b-1
0.284
MAR-TRE-9d18ae8c-60
0.284
MAR-TRE-c317dd82-44
0.284
MAR-TRE-66ac689e-29
0.284
MAR-TRE-66ac689e-61
0.284
MAR-TRE-66ac689e-23
0.284
MAR-TRE-4f781e27-98
0.283
MAR-TRE-799db12b-65
0.283
MAR-TRE-799db12b-20
0.283
MAR-TRE-be9ff7d2-47
0.282
MAR-TRE-e82e6c98-94
0.282
MAR-TRE-4f781e27-34
0.281
MAR-TRE-c317dd82-14
0.281
MAR-TRE-be9ff7d2-46
0.281
MAR-TRE-e82e6c98-10
0.281
MAR-TRE-a9136c7b-64
0.281
MAR-TRE-9d18ae8c-15
0.281
MAR-TRE-9d18ae8c-64
0.281
MAR-TRE-be9ff7d2-59
0.280
MAR-TRE-9d18ae8c-14
0.280
MAR-TRE-9d18ae8c-29
0.280
MAR-TRE-9d18ae8c-8
0.280
MAR-TRE-66ac689e-83
0.280
MAR-TRE-66ac689e-75
0.279
MAR-TRE-4f781e27-78
0.279
MAR-TRE-8190bb11-91
0.279
MAR-TRE-9d18ae8c-44
0.278
MAR-TRE-a9136c7b-47
0.278
MAR-TRE-799db12b-34
0.278
MAR-TRE-66ac689e-47
0.278
MAR-TRE-799db12b-72
0.278
MAR-TRE-8190bb11-90
0.278
MAR-TRE-a9136c7b-43
0.278
MAR-TRE-9d18ae8c-96
0.277
MAR-TRE-92684b97-55
0.277
MAR-TRE-66ac689e-66
0.277
MAR-TRE-e82e6c98-30
0.276
MAR-TRE-be9ff7d2-8
0.276
MAR-TRE-799db12b-99
0.276
MAR-TRE-e82e6c98-65
0.275
MAR-TRE-c317dd82-28
0.275
MAR-TRE-e82e6c98-48
0.275
MAR-TRE-92684b97-38
0.275
MAR-TRE-8190bb11-51
0.275