Molecular Properties | |
SMILES: | O=C(NC1CCCC1Oc1cnn(Cc2ccccc2)c1)c1cncnc1 |
MW: | 363.17 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 81.93 |
cLogP: | 2.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-52
0.458
MAR-TRE-8190bb11-21
0.421
MAR-TRE-799db12b-67
0.406
MAR-TRE-66ac689e-34
0.371
MAR-TRE-92684b97-39
0.362
MAR-TRE-66ac689e-7
0.357
MAR-TRE-66ac689e-83
0.354
MAR-TRE-66ac689e-43
0.351
MAR-TRE-8190bb11-41
0.344
MAR-TRE-92684b97-57
0.333
MAR-TRE-92684b97-28
0.330
MAR-TRE-e82e6c98-44
0.327
MAR-TRE-9d18ae8c-93
0.326
MAR-TRE-799db12b-92
0.324
MAR-TRE-e82e6c98-81
0.323
MAR-TRE-92684b97-62
0.320
MAR-TRE-66ac689e-21
0.320
MAR-TRE-799db12b-52
0.317
MAR-TRE-a9136c7b-89
0.317
MAR-TRE-a9136c7b-86
0.314
MAR-TRE-e82e6c98-86
0.314
MAR-TRE-799db12b-65
0.314
MAR-TRE-799db12b-21
0.313
MAR-TRE-4f781e27-48
0.311
MAR-TRE-a9136c7b-96
0.311
MAR-TRE-66ac689e-20
0.310
MAR-TRE-be9ff7d2-69
0.309
MAR-TRE-799db12b-89
0.307
MAR-TRE-c317dd82-65
0.306
MAR-TRE-66ac689e-29
0.304
MAR-TRE-8190bb11-82
0.303
MAR-TRE-8190bb11-81
0.303
MAR-TRE-4f781e27-49
0.301
MAR-TRE-a9136c7b-47
0.298
MAR-TRE-e82e6c98-53
0.298
MAR-TRE-92684b97-38
0.296
MAR-TRE-a9136c7b-95
0.295
MAR-TRE-be9ff7d2-30
0.294
MAR-TRE-4f781e27-28
0.293
MAR-TRE-799db12b-69
0.292
MAR-TRE-9d18ae8c-86
0.292
MAR-TRE-8190bb11-42
0.292
MAR-TRE-9d18ae8c-81
0.291
MAR-TRE-8190bb11-46
0.291
MAR-TRE-66ac689e-26
0.290
MAR-TRE-be9ff7d2-22
0.290
MAR-TRE-8190bb11-56
0.290
MAR-TRE-9d18ae8c-24
0.290
MAR-TRE-92684b97-51
0.289
MAR-TRE-66ac689e-89
0.288
MAR-TRE-9d18ae8c-65
0.287
MAR-TRE-be9ff7d2-75
0.287
MAR-TRE-8190bb11-90
0.286
MAR-TRE-9d18ae8c-52
0.286
MAR-TRE-4f781e27-83
0.286
MAR-TRE-8190bb11-93
0.286
MAR-TRE-e82e6c98-28
0.284
MAR-TRE-c317dd82-18
0.283
MAR-TRE-e82e6c98-65
0.283
MAR-TRE-a9136c7b-63
0.282
MAR-TRE-4f781e27-21
0.281
MAR-TRE-92684b97-66
0.281
GIA-UNK-5ec6c2b8-3
0.281
MAR-TRE-799db12b-71
0.280
MAR-TRE-4f781e27-27
0.280
MAR-TRE-799db12b-51
0.280
MAR-TRE-799db12b-57
0.280
MAR-TRE-799db12b-29
0.280
MAR-TRE-92684b97-78
0.280
MAR-TRE-8190bb11-99
0.279
MAR-TRE-799db12b-4
0.279
MAR-TRE-c317dd82-44
0.279
MAR-TRE-c317dd82-80
0.279
MAR-TRE-66ac689e-31
0.279
MAR-TRE-92684b97-96
0.279
MAR-TRE-799db12b-7
0.279
MAR-TRE-a9136c7b-2
0.278
MAR-TRE-be9ff7d2-62
0.278
MAR-TRE-9d18ae8c-34
0.278
MAR-TRE-66ac689e-51
0.277
MAR-TRE-9d18ae8c-58
0.277
MAR-TRE-9d18ae8c-74
0.277
MAR-TRE-c317dd82-88
0.277
MAR-TRE-9d18ae8c-61
0.277
MAR-TRE-8190bb11-34
0.276
MAR-TRE-c317dd82-14
0.276
MAR-TRE-4f781e27-79
0.276
MAR-TRE-9d18ae8c-18
0.276
MAR-TRE-8190bb11-70
0.276
MAR-TRE-9d18ae8c-78
0.276
MAR-TRE-4f781e27-100
0.275
MAR-TRE-c317dd82-34
0.275
MAR-TRE-c317dd82-77
0.275
MAR-TRE-e82e6c98-35
0.275
MAR-TRE-9d18ae8c-8
0.275
MAR-TRE-9d18ae8c-14
0.275
MAR-TRE-9d18ae8c-36
0.274
MAR-TRE-9d18ae8c-13
0.274
MAR-TRE-66ac689e-47
0.274
MAR-TRE-9d18ae8c-16
0.273