Molecular Properties | |
SMILES: | Cn1ccc(C2CNCC2C(=O)NC(=O)c2cncnc2)n1 |
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-c317dd82-54
0.623
MAR-TRE-c317dd82-57
0.606
MAR-TRE-c317dd82-15
0.603
MAR-TRE-c317dd82-61
0.595
MAR-TRE-c317dd82-64
0.581
MAR-TRE-92684b97-38
0.563
MAR-TRE-be9ff7d2-87
0.550
MAR-TRE-e82e6c98-59
0.494
MAR-TRE-e82e6c98-94
0.486
MAR-TRE-e82e6c98-17
0.395
MAR-TRE-c317dd82-9
0.383
MAR-TRE-c317dd82-99
0.378
MAR-TRE-e82e6c98-73
0.376
MAR-TRE-be9ff7d2-74
0.368
MAR-TRE-8190bb11-79
0.349
MAR-TRE-92684b97-79
0.349
MAR-TRE-be9ff7d2-94
0.342
MAR-TRE-a9136c7b-44
0.341
MAR-TRE-66ac689e-96
0.333
MAR-TRE-66ac689e-100
0.329
MAR-TRE-c317dd82-30
0.326
MAR-TRE-c317dd82-93
0.326
MAR-TRE-66ac689e-82
0.322
MAR-TRE-67513f76-20
0.322
MAR-TRE-e82e6c98-28
0.322
MAR-TRE-be9ff7d2-77
0.319
MAR-TRE-92684b97-61
0.318
MAR-TRE-c317dd82-92
0.318
MAR-TRE-be9ff7d2-38
0.317
MAR-TRE-8190bb11-46
0.315
MAR-TRE-be9ff7d2-25
0.313
MAR-TRE-a9136c7b-72
0.313
MAR-TRE-c317dd82-2
0.312
MAR-TRE-66ac689e-60
0.312
MAR-TRE-e82e6c98-10
0.311
MAR-TRE-e82e6c98-19
0.310
MAR-TRE-e82e6c98-30
0.309
MAR-TRE-e82e6c98-49
0.309
MAR-TRE-e82e6c98-22
0.306
MAR-TRE-be9ff7d2-44
0.306
MAR-TRE-9d18ae8c-23
0.304
MAR-TRE-e82e6c98-82
0.304
MAR-TRE-c317dd82-78
0.302
MAR-TRE-e82e6c98-26
0.301
MAR-TRE-e82e6c98-72
0.301
MAR-TRE-c317dd82-5
0.301
MAR-TRE-c317dd82-60
0.301
MAR-TRE-be9ff7d2-47
0.300
MAR-TRE-8190bb11-82
0.299
MAR-TRE-e82e6c98-62
0.298
MAR-TRE-8190bb11-96
0.298
MAR-TRE-be9ff7d2-41
0.298
MAR-TRE-e82e6c98-40
0.297
MAR-TRE-4f781e27-89
0.297
MAR-TRE-9c797165-35
0.297
MAR-TRE-be9ff7d2-24
0.296
MAR-TRE-66ac689e-85
0.295
MAR-TRE-c317dd82-73
0.294
MAR-TRE-be9ff7d2-71
0.293
MAR-TRE-be9ff7d2-33
0.293
MAR-TRE-e82e6c98-60
0.292
MAR-TRE-66ac689e-20
0.292
MAR-TRE-c317dd82-51
0.292
MAR-TRE-7f7bb9f0-12
0.292
MAR-TRE-c317dd82-21
0.291
MAR-TRE-be9ff7d2-96
0.290
MAR-TRE-be9ff7d2-88
0.289
MAR-TRE-e82e6c98-47
0.289
MAR-TRE-92684b97-52
0.289
MAR-TRE-e82e6c98-7
0.289
MAR-TRE-8190bb11-89
0.289
MAR-TRE-92684b97-100
0.289
MAR-TRE-a9136c7b-77
0.289
MAR-TRE-799db12b-89
0.289
MAR-TRE-66ac689e-56
0.289
MAR-TRE-8190bb11-8
0.287
MAR-TRE-c317dd82-20
0.287
MAR-TRE-be9ff7d2-80
0.286
MAR-TRE-be9ff7d2-92
0.286
MAR-TRE-e82e6c98-80
0.286
MAR-TRE-799db12b-52
0.286
MAR-TRE-9d18ae8c-71
0.286
MAR-TRE-e82e6c98-64
0.286
MAR-TRE-7f7bb9f0-15
0.286
MAR-TRE-e82e6c98-84
0.286
MAR-TRE-c317dd82-17
0.284
MAR-TRE-e82e6c98-37
0.284
MAR-TRE-8190bb11-81
0.284
MAR-TRE-e82e6c98-12
0.284
MAR-TRE-66ac689e-26
0.284
MAR-TRE-92684b97-57
0.284
MAR-TRE-c317dd82-32
0.283
MAR-TRE-be9ff7d2-100
0.283
MAR-TRE-799db12b-28
0.283
MAR-TRE-92684b97-36
0.283
MAR-TRE-8190bb11-34
0.283
MAR-TRE-9d18ae8c-78
0.282
MAR-TRE-e82e6c98-96
0.281
MAR-TRE-66ac689e-6
0.281
MAR-TRE-799db12b-53
0.281