Molecular Properties | |
SMILES: | Cn1nccc1C1CNCC1C(=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-c317dd82-57
0.687
MAR-TRE-c317dd82-54
0.609
MAR-TRE-c317dd82-15
0.589
MAR-TRE-c317dd82-72
0.581
MAR-TRE-c317dd82-61
0.581
MAR-TRE-92684b97-38
0.571
MAR-TRE-be9ff7d2-87
0.557
MAR-TRE-e82e6c98-94
0.515
MAR-TRE-e82e6c98-59
0.481
MAR-TRE-e82e6c98-10
0.427
MAR-TRE-c317dd82-60
0.412
MAR-TRE-e82e6c98-62
0.407
MAR-TRE-c317dd82-9
0.405
MAR-TRE-be9ff7d2-24
0.400
MAR-TRE-e82e6c98-17
0.400
MAR-TRE-c317dd82-51
0.398
MAR-TRE-be9ff7d2-74
0.392
MAR-TRE-e82e6c98-4
0.389
MAR-TRE-66ac689e-96
0.386
MAR-TRE-c317dd82-99
0.383
MAR-TRE-e82e6c98-30
0.382
MAR-TRE-be9ff7d2-47
0.373
MAR-TRE-8190bb11-79
0.369
MAR-TRE-e82e6c98-73
0.366
MAR-TRE-be9ff7d2-94
0.364
MAR-TRE-be9ff7d2-97
0.357
MAR-TRE-e82e6c98-72
0.354
MAR-TRE-92684b97-79
0.353
MAR-TRE-c317dd82-93
0.345
MAR-TRE-92684b97-61
0.337
MAR-TRE-a9136c7b-93
0.337
MAR-TRE-be9ff7d2-25
0.333
MAR-TRE-a9136c7b-44
0.330
MAR-TRE-c317dd82-30
0.330
MAR-TRE-e82e6c98-19
0.329
MAR-TRE-67513f76-20
0.326
MAR-TRE-a9136c7b-77
0.322
MAR-TRE-c317dd82-92
0.321
MAR-TRE-be9ff7d2-38
0.321
MAR-TRE-e82e6c98-26
0.321
MAR-TRE-be9ff7d2-96
0.320
MAR-TRE-7f7bb9f0-15
0.316
MAR-TRE-66ac689e-60
0.315
MAR-TRE-c317dd82-34
0.314
MAR-TRE-e82e6c98-56
0.314
MAR-TRE-c317dd82-73
0.313
MAR-TRE-c317dd82-21
0.312
MAR-TRE-e82e6c98-47
0.309
MAR-TRE-7f7bb9f0-12
0.309
MAR-TRE-e82e6c98-31
0.307
MAR-TRE-be9ff7d2-31
0.305
MAR-TRE-799db12b-8
0.304
MAR-TRE-c317dd82-5
0.304
MAR-TRE-66ac689e-67
0.303
MAR-TRE-8190bb11-46
0.303
MAR-TRE-a9136c7b-72
0.303
MAR-TRE-be9ff7d2-80
0.302
MAR-TRE-8190bb11-96
0.301
MAR-TRE-c317dd82-83
0.301
MAR-TRE-e82e6c98-37
0.301
MAR-TRE-9c797165-35
0.300
MAR-TRE-e82e6c98-40
0.300
MAR-TRE-c317dd82-17
0.300
MAR-TRE-c317dd82-97
0.300
MAR-TRE-9d18ae8c-57
0.299
MAR-TRE-66ac689e-6
0.299
MAR-TRE-4f781e27-97
0.297
MAR-TRE-be9ff7d2-71
0.297
MAR-TRE-be9ff7d2-33
0.296
MAR-TRE-e82e6c98-28
0.295
MAR-TRE-be9ff7d2-50
0.295
MAR-TRE-66ac689e-20
0.295
MAR-TRE-be9ff7d2-52
0.295
MAR-TRE-e82e6c98-3
0.295
MAR-TRE-e82e6c98-22
0.294
MAR-TRE-be9ff7d2-44
0.294
MAR-TRE-9d18ae8c-23
0.293
MAR-TRE-be9ff7d2-77
0.293
MAR-TRE-e82e6c98-82
0.293
MAR-TRE-e82e6c98-7
0.293
MAR-TRE-be9ff7d2-88
0.293
MAR-TRE-92684b97-100
0.292
MAR-TRE-66ac689e-9
0.292
MAR-TRE-c317dd82-48
0.291
MAR-TRE-4f781e27-22
0.291
MAR-TRE-be9ff7d2-19
0.291
MAR-TRE-be9ff7d2-17
0.291
MAR-TRE-e82e6c98-80
0.289
MAR-TRE-c317dd82-88
0.287
MAR-TRE-66ac689e-51
0.287
MAR-TRE-8190bb11-81
0.287
MAR-TRE-92684b97-54
0.287
MAR-TRE-8190bb11-82
0.287
MAR-TRE-be9ff7d2-68
0.287
MAR-TRE-c317dd82-2
0.287
MAR-TRE-92684b97-36
0.286
MAR-TRE-be9ff7d2-41
0.286
MAR-TRE-be9ff7d2-55
0.286
MAR-TRE-e82e6c98-49
0.284
MAR-TRE-e82e6c98-96
0.284