Molecular Properties | |
SMILES: | Cn1cc(C2CNCCC2C(=O)NC(=O)c2cncnc2)cn1 |
MW: | 314.15 |
Fraction sp3: | 0.4 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 101.8 |
cLogP: | -0.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
MAR-TRE-c317dd82-54
0.723
MAR-TRE-92684b97-38
0.521
MAR-TRE-c317dd82-57
0.500
MAR-TRE-c317dd82-72
0.494
MAR-TRE-c317dd82-61
0.494
MAR-TRE-e82e6c98-94
0.486
MAR-TRE-c317dd82-15
0.481
MAR-TRE-c317dd82-64
0.481
MAR-TRE-be9ff7d2-87
0.459
MAR-TRE-c317dd82-9
0.455
MAR-TRE-e82e6c98-73
0.407
MAR-TRE-be9ff7d2-74
0.387
MAR-TRE-67513f76-20
0.386
MAR-TRE-e82e6c98-17
0.379
MAR-TRE-be9ff7d2-77
0.379
MAR-TRE-c317dd82-30
0.372
MAR-TRE-a9136c7b-44
0.372
MAR-TRE-7f7bb9f0-12
0.363
MAR-TRE-c317dd82-99
0.361
MAR-TRE-9c797165-35
0.356
MAR-TRE-66ac689e-60
0.356
MAR-TRE-be9ff7d2-71
0.352
MAR-TRE-e82e6c98-49
0.352
MAR-TRE-92684b97-61
0.349
MAR-TRE-8190bb11-79
0.349
MAR-TRE-9d18ae8c-23
0.348
MAR-TRE-be9ff7d2-33
0.347
MAR-TRE-c317dd82-93
0.341
MAR-TRE-7f7bb9f0-15
0.340
MAR-TRE-a9136c7b-72
0.340
MAR-TRE-c317dd82-97
0.326
MAR-TRE-be9ff7d2-94
0.325
MAR-TRE-92684b97-79
0.318
MAR-TRE-66ac689e-96
0.318
MAR-TRE-e82e6c98-31
0.318
MAR-TRE-c317dd82-88
0.316
MAR-TRE-c317dd82-5
0.315
MAR-TRE-8190bb11-46
0.315
MAR-TRE-c317dd82-98
0.312
MAR-TRE-c317dd82-2
0.312
MAR-TRE-9c797165-11
0.312
MAR-TRE-e82e6c98-35
0.310
MAR-TRE-c317dd82-17
0.310
MAR-TRE-e82e6c98-19
0.310
MAR-TRE-c317dd82-55
0.306
MAR-TRE-4f781e27-64
0.306
MAR-TRE-be9ff7d2-44
0.306
MAR-TRE-4f781e27-41
0.305
MAR-TRE-be9ff7d2-88
0.305
MAR-TRE-a9136c7b-77
0.303
MAR-TRE-be9ff7d2-19
0.302
MAR-TRE-c317dd82-78
0.302
MAR-TRE-e82e6c98-80
0.301
MAR-TRE-e82e6c98-72
0.301
MAR-TRE-be9ff7d2-38
0.301
MAR-TRE-c317dd82-20
0.300
MAR-TRE-e82e6c98-12
0.299
MAR-TRE-8190bb11-82
0.299
MAR-TRE-be9ff7d2-25
0.298
MAR-TRE-4f781e27-89
0.297
MAR-TRE-e82e6c98-10
0.297
MAR-TRE-be9ff7d2-18
0.295
MAR-TRE-e82e6c98-44
0.295
MAR-TRE-9d18ae8c-96
0.295
MAR-TRE-9d18ae8c-44
0.293
MAR-TRE-e82e6c98-30
0.293
MAR-TRE-be9ff7d2-50
0.292
MAR-TRE-e82e6c98-28
0.292
MAR-TRE-be9ff7d2-97
0.292
MAR-TRE-799db12b-67
0.291
MAR-TRE-c317dd82-21
0.291
MAR-TRE-be9ff7d2-99
0.290
MAR-TRE-e82e6c98-47
0.289
MAR-TRE-4f781e27-21
0.289
MAR-TRE-e82e6c98-7
0.289
MAR-TRE-799db12b-89
0.289
MAR-TRE-be9ff7d2-14
0.289
MAR-TRE-e82e6c98-16
0.287
MAR-TRE-92684b97-83
0.287
MAR-TRE-c317dd82-71
0.286
MAR-TRE-be9ff7d2-92
0.286
MAR-TRE-e82e6c98-5
0.286
MAR-TRE-e82e6c98-26
0.286
MAR-TRE-e82e6c98-32
0.286
MAR-TRE-c317dd82-83
0.284
MAR-TRE-799db12b-65
0.284
MAR-TRE-e82e6c98-62
0.284
MAR-TRE-be9ff7d2-68
0.284
MAR-TRE-be9ff7d2-45
0.284
MAR-TRE-4f781e27-90
0.284
MAR-TRE-92684b97-57
0.284
MAR-TRE-be9ff7d2-47
0.284
MAK-UNK-748f8b7a-7
0.284
MAR-TRE-be9ff7d2-46
0.283
MAR-TRE-be9ff7d2-60
0.283
MAR-TRE-8190bb11-65
0.282
MAR-TRE-66ac689e-6
0.281
MAR-TRE-8190bb11-33
0.281
MAR-TRE-be9ff7d2-32
0.281
MAR-TRE-92684b97-43
0.280