Molecular Properties | |
SMILES: | O=C(NC(=O)C1CNc2ccccc2O1)c1cncnc1 |
MW: | 284.09 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 93.21 |
cLogP: | 0.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
MAR-TRE-92684b97-79
0.481
MAR-TRE-be9ff7d2-74
0.437
MAR-TRE-92684b97-61
0.425
MAR-TRE-e82e6c98-94
0.417
MAR-TRE-92684b97-38
0.397
MAR-TRE-c317dd82-64
0.386
MAR-TRE-8190bb11-79
0.357
MAR-TRE-c317dd82-99
0.354
MAR-TRE-c317dd82-15
0.353
MAR-TRE-66ac689e-67
0.353
MAR-TRE-c317dd82-57
0.349
MAR-TRE-c317dd82-93
0.349
MAR-TRE-c317dd82-54
0.341
MAR-TRE-c317dd82-9
0.341
MAR-TRE-c317dd82-61
0.333
MAR-TRE-c317dd82-72
0.333
MAR-TRE-c317dd82-17
0.330
MAR-TRE-e82e6c98-73
0.326
MAR-TRE-be9ff7d2-87
0.326
MAR-TRE-e82e6c98-17
0.326
MAR-TRE-92684b97-45
0.322
MAR-TRE-c317dd82-30
0.318
MAR-TRE-a9136c7b-44
0.318
MAR-TRE-e82e6c98-59
0.318
MAR-TRE-be9ff7d2-94
0.316
MAR-TRE-66ac689e-55
0.314
MAR-TRE-66ac689e-28
0.310
MAR-TRE-be9ff7d2-38
0.309
MAR-TRE-66ac689e-90
0.307
MAR-TRE-8190bb11-41
0.306
MAR-TRE-799db12b-60
0.303
MAR-TRE-4f781e27-33
0.301
MAR-TRE-e82e6c98-30
0.300
MAR-TRE-799db12b-88
0.299
MAR-TRE-66ac689e-35
0.299
MAR-TRE-8190bb11-51
0.298
MAR-TRE-92684b97-66
0.296
MAR-TRE-4f781e27-21
0.296
MAR-TRE-66ac689e-9
0.295
MAR-TRE-9d18ae8c-39
0.295
MAR-TRE-a9136c7b-88
0.293
MAR-TRE-e82e6c98-74
0.293
MAR-TRE-92684b97-37
0.292
MAR-TRE-92684b97-28
0.292
MAR-TRE-be9ff7d2-47
0.291
MAR-TRE-9d18ae8c-61
0.291
MAR-TRE-8190bb11-56
0.291
MAR-TRE-8190bb11-81
0.291
MAR-TRE-799db12b-65
0.290
MAR-TRE-66ac689e-60
0.290
MAR-TRE-be9ff7d2-25
0.289
MAR-TRE-92684b97-99
0.289
MAR-TRE-e82e6c98-10
0.289
MAR-TRE-a9136c7b-74
0.289
MAR-TRE-799db12b-68
0.289
MAR-TRE-8190bb11-43
0.289
MAR-TRE-8190bb11-91
0.287
MAR-TRE-9d18ae8c-57
0.287
MAR-TRE-e82e6c98-24
0.287
MAR-TRE-c317dd82-59
0.286
MAR-TRE-a9136c7b-43
0.286
MAR-TRE-e82e6c98-19
0.286
MAR-TRE-a9136c7b-96
0.286
MAR-TRE-be9ff7d2-50
0.284
MAR-TRE-8190bb11-25
0.284
MAR-TRE-9d18ae8c-72
0.284
MAR-TRE-799db12b-74
0.282
MAR-TRE-e82e6c98-81
0.282
MAR-TRE-92684b97-76
0.282
MAR-TRE-c317dd82-21
0.282
MAR-TRE-a9136c7b-77
0.281
MAR-TRE-799db12b-89
0.281
MAR-TRE-8190bb11-30
0.281
MAR-TRE-9d18ae8c-70
0.281
MAR-TRE-9d18ae8c-79
0.281
MAR-TRE-92684b97-27
0.280
MAR-TRE-92684b97-50
0.280
MAR-TRE-66ac689e-30
0.279
MAR-TRE-a9136c7b-42
0.278
MAR-TRE-66ac689e-29
0.278
MAR-TRE-66ac689e-40
0.278
MAR-TRE-8190bb11-46
0.278
MAR-TRE-92684b97-42
0.278
MAR-TRE-e82e6c98-80
0.277
MAR-TRE-c317dd82-53
0.277
MAR-TRE-e82e6c98-72
0.277
MAR-TRE-c317dd82-79
0.277
MAR-TRE-a9136c7b-19
0.277
MAR-TRE-a9136c7b-86
0.277
MAR-TRE-be9ff7d2-22
0.276
MAR-TRE-be9ff7d2-68
0.276
MAR-TRE-799db12b-20
0.276
MAR-TRE-8190bb11-82
0.276
MAR-TRE-4f781e27-54
0.276
MAR-TRE-be9ff7d2-24
0.276
MAR-TRE-92684b97-57
0.275
MAR-TRE-c317dd82-88
0.275
MAR-TRE-4f781e27-79
0.275
MAR-TRE-c317dd82-14
0.275
MAR-TRE-e82e6c98-40
0.275