Molecular Properties | |
SMILES: | Cn1cncc1C1CNCC1C(=O)NC(=O)c1cncnc1 |
MW: | 300.13 |
Fraction sp3: | 0.36 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 101.8 |
cLogP: | -0.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
MAR-TRE-c317dd82-64
0.687
MAR-TRE-c317dd82-54
0.636
MAR-TRE-c317dd82-61
0.606
MAR-TRE-c317dd82-72
0.606
MAR-TRE-c317dd82-15
0.592
MAR-TRE-92684b97-38
0.574
MAR-TRE-be9ff7d2-87
0.558
MAR-TRE-e82e6c98-94
0.515
MAR-TRE-e82e6c98-59
0.500
MAR-TRE-e82e6c98-17
0.432
MAR-TRE-c317dd82-9
0.403
MAR-TRE-c317dd82-99
0.397
MAR-TRE-be9ff7d2-74
0.389
MAR-TRE-e82e6c98-37
0.388
MAR-TRE-be9ff7d2-80
0.386
MAR-TRE-e82e6c98-3
0.379
MAR-TRE-e82e6c98-73
0.378
MAR-TRE-a9136c7b-83
0.375
MAR-TRE-8190bb11-79
0.366
MAR-TRE-be9ff7d2-94
0.360
MAR-TRE-66ac689e-96
0.349
MAR-TRE-c317dd82-93
0.341
MAR-TRE-c317dd82-30
0.341
MAR-TRE-a9136c7b-44
0.341
MAR-TRE-be9ff7d2-38
0.333
MAR-TRE-e82e6c98-26
0.333
MAR-TRE-92684b97-79
0.333
MAR-TRE-be9ff7d2-25
0.329
MAR-TRE-66ac689e-60
0.326
MAR-TRE-9d18ae8c-23
0.318
MAR-TRE-92684b97-61
0.318
MAR-TRE-e82e6c98-72
0.316
MAR-TRE-a9136c7b-72
0.312
MAR-TRE-c317dd82-2
0.311
MAR-TRE-c317dd82-83
0.311
MAR-TRE-e82e6c98-10
0.310
MAR-TRE-c317dd82-34
0.310
MAR-TRE-e82e6c98-19
0.309
MAR-TRE-e82e6c98-30
0.308
MAR-TRE-be9ff7d2-71
0.307
MAR-TRE-c317dd82-21
0.307
MAR-TRE-67513f76-20
0.306
MAR-TRE-e82e6c98-28
0.306
MAR-TRE-e82e6c98-60
0.306
MAR-TRE-be9ff7d2-44
0.305
MAR-TRE-e82e6c98-22
0.305
MAR-TRE-c317dd82-51
0.304
MAR-TRE-be9ff7d2-88
0.304
MAR-TRE-e82e6c98-7
0.304
MAR-TRE-e82e6c98-47
0.304
MAR-TRE-be9ff7d2-77
0.303
MAR-TRE-4f781e27-22
0.301
MAR-TRE-c317dd82-78
0.301
MAR-TRE-c317dd82-60
0.300
MAR-TRE-be9ff7d2-31
0.300
MAR-TRE-e82e6c98-80
0.300
MAR-TRE-c317dd82-5
0.300
MAR-TRE-8190bb11-46
0.299
MAR-TRE-be9ff7d2-92
0.299
MAR-TRE-e82e6c98-64
0.299
MAR-TRE-be9ff7d2-47
0.299
MAR-TRE-c317dd82-88
0.299
MAR-TRE-8190bb11-82
0.298
MAR-TRE-e82e6c98-62
0.297
MAR-TRE-be9ff7d2-41
0.296
MAR-TRE-8190bb11-96
0.296
MAR-TRE-c317dd82-17
0.296
MAR-TRE-e82e6c98-40
0.295
MAR-TRE-be9ff7d2-24
0.295
MAR-TRE-8190bb11-33
0.294
MAR-TRE-e82e6c98-49
0.293
MAR-TRE-c317dd82-73
0.293
MAR-TRE-66ac689e-38
0.293
MAR-TRE-c317dd82-82
0.293
MAR-TRE-c317dd82-66
0.292
MAR-TRE-be9ff7d2-33
0.292
MAR-TRE-e82e6c98-15
0.291
MAR-TRE-be9ff7d2-50
0.291
MAR-TRE-be9ff7d2-43
0.289
MAR-TRE-be9ff7d2-99
0.289
MAR-TRE-e82e6c98-82
0.289
MAR-TRE-92684b97-66
0.287
MAR-TRE-92684b97-52
0.287
MAR-TRE-be9ff7d2-14
0.287
MAR-TRE-a9136c7b-61
0.287
MAR-TRE-4f781e27-7
0.287
MAR-TRE-a9136c7b-23
0.287
MAR-TRE-66ac689e-28
0.286
MAR-TRE-92684b97-83
0.286
MAR-TRE-c317dd82-48
0.286
MAR-TRE-c317dd82-92
0.286
MAR-TRE-be9ff7d2-17
0.286
MAR-TRE-e82e6c98-32
0.284
MAR-TRE-e82e6c98-4
0.284
MAR-TRE-e82e6c98-5
0.284
MAR-TRE-e82e6c98-92
0.283
MAR-TRE-c317dd82-58
0.283
MAR-TRE-be9ff7d2-45
0.282
MAR-TRE-e82e6c98-12
0.282
MAR-TRE-92684b97-57
0.282