Molecular Properties | |
SMILES: | O=C(NC(=O)C1CNc2ccccc2C1)c1cncnc1 |
MW: | 282.11 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 83.98 |
cLogP: | 1.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
MAR-TRE-66ac689e-96
0.481
MAR-TRE-92684b97-61
0.425
MAR-TRE-c317dd82-99
0.423
MAR-TRE-8190bb11-79
0.407
MAR-TRE-92684b97-38
0.397
MAR-TRE-e82e6c98-94
0.397
MAR-TRE-c317dd82-93
0.383
MAR-TRE-be9ff7d2-74
0.378
MAR-TRE-a9136c7b-44
0.365
MAR-TRE-9d18ae8c-61
0.360
MAR-TRE-c317dd82-64
0.353
MAR-TRE-c317dd82-72
0.349
MAR-TRE-9d18ae8c-39
0.347
MAR-TRE-c317dd82-54
0.341
MAR-TRE-c317dd82-57
0.333
MAR-TRE-c317dd82-61
0.333
MAR-TRE-be9ff7d2-94
0.333
MAR-TRE-9d18ae8c-72
0.333
MAR-TRE-c317dd82-30
0.333
MAR-TRE-92684b97-43
0.330
MAR-TRE-9d18ae8c-27
0.329
MAR-TRE-92684b97-66
0.329
MAR-TRE-be9ff7d2-87
0.326
MAR-TRE-c317dd82-9
0.325
MAR-TRE-c317dd82-15
0.322
MAR-TRE-4f781e27-13
0.322
MAR-TRE-92684b97-28
0.322
MAR-TRE-8190bb11-81
0.321
MAR-TRE-e82e6c98-59
0.318
MAR-TRE-92684b97-76
0.313
MAR-TRE-e82e6c98-73
0.312
MAR-TRE-e82e6c98-17
0.311
MAR-TRE-9d18ae8c-70
0.310
MAR-TRE-66ac689e-28
0.310
MAR-TRE-66ac689e-70
0.309
MAR-TRE-be9ff7d2-38
0.309
MAR-TRE-8190bb11-46
0.307
MAR-TRE-92684b97-37
0.307
MAR-TRE-9d18ae8c-78
0.305
MAR-TRE-be9ff7d2-25
0.305
MAR-TRE-799db12b-95
0.304
MAR-TRE-e82e6c98-15
0.300
MAR-TRE-66ac689e-35
0.299
MAR-TRE-4f781e27-21
0.296
MAR-TRE-799db12b-89
0.295
MAR-TRE-9d18ae8c-68
0.295
MAR-TRE-c317dd82-78
0.295
MAR-TRE-8190bb11-62
0.293
MAR-TRE-799db12b-65
0.290
MAR-TRE-c317dd82-17
0.290
MAR-TRE-e82e6c98-10
0.289
MAR-TRE-66ac689e-75
0.287
MAR-TRE-8190bb11-91
0.287
MAR-TRE-9d18ae8c-57
0.287
MAR-TRE-e82e6c98-24
0.287
MAR-TRE-c317dd82-73
0.286
MAR-TRE-e82e6c98-19
0.286
MAR-TRE-a9136c7b-43
0.286
MAR-TRE-8190bb11-93
0.286
MAR-TRE-4f781e27-33
0.286
MAR-TRE-9d18ae8c-32
0.286
MAR-TRE-4f781e27-57
0.286
MAR-TRE-a9136c7b-47
0.286
MAR-TRE-66ac689e-55
0.284
MAR-TRE-8190bb11-40
0.284
MAR-TRE-e82e6c98-30
0.284
MAK-UNK-748f8b7a-14
0.284
MAR-TRE-c317dd82-21
0.282
MAR-TRE-66ac689e-9
0.281
MAR-TRE-92684b97-100
0.281
MAR-TRE-a9136c7b-77
0.281
MAR-TRE-92684b97-21
0.280
MAR-TRE-799db12b-91
0.280
MAR-TRE-c317dd82-60
0.280
MAR-TRE-66ac689e-39
0.279
MAR-TRE-92684b97-24
0.279
MAR-TRE-9d18ae8c-28
0.279
MAR-TRE-92684b97-42
0.278
MAR-TRE-66ac689e-34
0.278
MAR-TRE-66ac689e-67
0.278
MAR-TRE-92684b97-45
0.278
MAR-TRE-9d18ae8c-90
0.278
MAR-TRE-66ac689e-23
0.277
MAR-TRE-4f781e27-32
0.277
MAR-TRE-9d18ae8c-34
0.277
MAR-TRE-66ac689e-60
0.277
MAR-TRE-8190bb11-56
0.276
MAR-TRE-8190bb11-82
0.276
MAR-TRE-8190bb11-41
0.276
MAR-TRE-9d18ae8c-74
0.276
MAR-TRE-8190bb11-49
0.276
MAR-TRE-be9ff7d2-47
0.275
MAR-TRE-799db12b-68
0.275
MAR-TRE-8190bb11-43
0.275
MAR-TRE-4f781e27-79
0.275
MAR-TRE-92684b97-36
0.275
MAR-TRE-92684b97-94
0.275
MAR-TRE-66ac689e-24
0.275
MAR-TRE-8190bb11-65
0.274
MAR-TRE-8190bb11-96
0.274