Molecular Properties | |
SMILES: | O=C(NCc1ccccc1CN1CCCC1CO)c1cncnc1 |
MW: | 326.17 |
Fraction sp3: | 0.39 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 78.35 |
cLogP: | 1.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-799db12b-89
0.600
MAR-TRE-66ac689e-29
0.551
MAR-TRE-8190bb11-81
0.519
MAR-TRE-8190bb11-82
0.519
MAR-TRE-66ac689e-47
0.464
MAR-TRE-92684b97-54
0.463
MAR-TRE-799db12b-64
0.432
MAR-TRE-e82e6c98-35
0.405
MAR-TRE-8190bb11-42
0.400
MAR-TRE-8190bb11-99
0.398
MAR-TRE-66ac689e-21
0.395
MAR-TRE-799db12b-52
0.391
MAR-TRE-799db12b-59
0.386
MAR-TRE-e82e6c98-12
0.376
MAR-TRE-66ac689e-26
0.376
MAR-TRE-799db12b-7
0.375
MAR-TRE-e82e6c98-5
0.375
MAR-TRE-c317dd82-67
0.372
MAR-TRE-be9ff7d2-18
0.372
MAR-TRE-be9ff7d2-90
0.370
MAR-TRE-e82e6c98-91
0.368
MAR-TRE-9d18ae8c-36
0.367
MAR-TRE-4f781e27-83
0.367
MAR-TRE-92684b97-53
0.364
MAR-TRE-be9ff7d2-99
0.363
MAR-TRE-4f781e27-65
0.360
MAR-TRE-799db12b-69
0.359
MAR-TRE-4f781e27-100
0.356
MAR-TRE-92684b97-78
0.354
MAR-TRE-e82e6c98-25
0.354
MAR-TRE-8190bb11-27
0.354
MAR-TRE-c317dd82-55
0.353
MAR-TRE-e82e6c98-60
0.352
MAR-TRE-4f781e27-48
0.352
MAR-TRE-a9136c7b-80
0.352
MAR-TRE-9d18ae8c-52
0.352
MAR-TRE-9d18ae8c-65
0.351
MAR-TRE-e82e6c98-57
0.349
MAR-TRE-92684b97-74
0.349
MAR-TRE-a9136c7b-54
0.349
MAR-TRE-4f781e27-7
0.348
MAR-TRE-e82e6c98-93
0.348
MAR-TRE-be9ff7d2-67
0.346
MAR-TRE-8190bb11-85
0.346
MAR-TRE-4f781e27-49
0.346
MAR-TRE-8190bb11-24
0.346
MAR-TRE-8190bb11-96
0.345
MAR-TRE-9d18ae8c-74
0.345
MAR-TRE-8190bb11-46
0.344
MAR-TRE-66ac689e-40
0.344
MAR-TRE-c317dd82-81
0.344
MAR-TRE-66ac689e-34
0.344
MAR-TRE-92684b97-96
0.344
MAR-TRE-be9ff7d2-95
0.344
MAR-TRE-8190bb11-50
0.341
MAR-TRE-92684b97-44
0.341
MAR-TRE-8190bb11-33
0.341
MAR-TRE-c317dd82-14
0.341
MAR-TRE-e82e6c98-10
0.341
MAR-TRE-a9136c7b-100
0.341
MAR-TRE-9d18ae8c-34
0.340
MAR-TRE-799db12b-14
0.340
MAR-TRE-66ac689e-54
0.340
MAR-TRE-be9ff7d2-88
0.337
MAR-TRE-8190bb11-13
0.337
MAR-TRE-799db12b-74
0.337
MAR-TRE-92684b97-11
0.337
MAR-TRE-66ac689e-20
0.337
MAR-TRE-9d18ae8c-84
0.337
MAR-TRE-799db12b-72
0.337
MAR-TRE-9d18ae8c-16
0.333
MAR-TRE-e82e6c98-8
0.333
MAR-TRE-799db12b-16
0.333
MAR-TRE-be9ff7d2-14
0.333
MAR-TRE-a9136c7b-17
0.333
MAR-TRE-4f781e27-28
0.333
MAR-TRE-799db12b-18
0.330
MAR-TRE-799db12b-11
0.330
MAR-TRE-799db12b-51
0.330
MAR-TRE-9d18ae8c-81
0.330
MAR-TRE-be9ff7d2-81
0.330
MAR-TRE-66ac689e-67
0.330
MAR-TRE-92684b97-37
0.330
MAR-TRE-4f781e27-99
0.329
MAR-TRE-9d18ae8c-89
0.329
MAR-TRE-e82e6c98-23
0.329
MAR-TRE-799db12b-35
0.329
MAR-TRE-9d18ae8c-73
0.329
MAR-TRE-799db12b-4
0.327
MAR-TRE-8190bb11-34
0.326
MAR-TRE-4f781e27-75
0.326
MAR-TRE-be9ff7d2-60
0.326
MAR-TRE-799db12b-48
0.326
MAR-TRE-66ac689e-74
0.326
MAR-TRE-66ac689e-24
0.326
MAR-TRE-66ac689e-73
0.326
MAR-TRE-66ac689e-83
0.326
MAR-TRE-e82e6c98-68
0.325
MAR-TRE-c317dd82-32
0.323
MAR-TRE-a9136c7b-5
0.323