Molecular Properties | |
SMILES: | Cn1cc(C2CNCC2C(=O)NC(=O)c2cncnc2)c(=O)n(C)c1=O |
MW: | 358.14 |
Fraction sp3: | 0.38 |
HBA: | 9 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 127.98 |
cLogP: | -1.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
Filter82_pyridinium
MAR-TRE-c317dd82-15
0.597
MAR-TRE-c317dd82-54
0.573
MAR-TRE-c317dd82-57
0.558
MAR-TRE-c317dd82-64
0.557
MAR-TRE-c317dd82-72
0.550
MAR-TRE-c317dd82-61
0.531
MAR-TRE-92684b97-38
0.519
MAR-TRE-e82e6c98-59
0.459
MAR-TRE-e82e6c98-94
0.447
MAR-TRE-be9ff7d2-13
0.376
MAR-TRE-e82e6c98-17
0.370
MAR-TRE-c317dd82-99
0.368
MAR-TRE-c317dd82-9
0.356
MAR-TRE-e82e6c98-73
0.354
MAR-TRE-be9ff7d2-74
0.341
MAR-TRE-8190bb11-79
0.341
MAR-TRE-be9ff7d2-94
0.333
MAR-TRE-66ac689e-96
0.326
MAR-TRE-92684b97-79
0.326
MAR-TRE-be9ff7d2-25
0.322
MAR-TRE-a9136c7b-44
0.319
MAR-TRE-c317dd82-93
0.319
MAR-TRE-e82e6c98-19
0.318
MAR-TRE-e82e6c98-30
0.318
MAR-TRE-e82e6c98-60
0.315
MAR-TRE-92684b97-61
0.312
MAR-TRE-a9136c7b-61
0.312
MAR-TRE-e82e6c98-72
0.310
MAR-TRE-a9136c7b-72
0.308
MAR-TRE-66ac689e-60
0.306
MAR-TRE-c317dd82-30
0.305
MAR-TRE-be9ff7d2-24
0.304
MAR-TRE-be9ff7d2-71
0.302
MAR-TRE-67513f76-20
0.301
MAR-TRE-be9ff7d2-77
0.299
MAR-TRE-c317dd82-92
0.297
MAR-TRE-e82e6c98-80
0.295
MAR-TRE-e82e6c98-26
0.295
MAR-TRE-8190bb11-46
0.295
MAR-TRE-e82e6c98-12
0.293
MAR-TRE-c317dd82-2
0.293
MAR-TRE-c317dd82-17
0.292
MAR-TRE-8190bb11-96
0.292
MAR-TRE-66ac689e-6
0.290
MAR-TRE-8190bb11-33
0.290
MAR-TRE-e82e6c98-49
0.290
MAR-TRE-799db12b-67
0.287
MAR-TRE-c317dd82-21
0.286
MAR-TRE-be9ff7d2-44
0.286
MAR-TRE-9d18ae8c-23
0.286
MAR-TRE-e82e6c98-22
0.286
MAR-TRE-e82e6c98-82
0.286
MAR-TRE-c317dd82-78
0.284
MAR-TRE-a9136c7b-23
0.284
MAR-TRE-a9136c7b-77
0.284
MAR-TRE-66ac689e-9
0.284
MAR-TRE-4f781e27-7
0.284
MAR-TRE-e82e6c98-47
0.284
MAR-TRE-e82e6c98-7
0.284
MAR-TRE-c317dd82-5
0.283
MAR-TRE-c317dd82-60
0.283
MAR-TRE-4f781e27-22
0.283
MAR-TRE-be9ff7d2-80
0.282
MAR-TRE-66ac689e-31
0.281
MAR-TRE-be9ff7d2-92
0.281
MAR-TRE-e82e6c98-64
0.281
MAR-TRE-be9ff7d2-38
0.281
MAR-TRE-8190bb11-10
0.280
MAR-TRE-66ac689e-51
0.280
MAR-TRE-be9ff7d2-47
0.279
MAR-TRE-be9ff7d2-46
0.278
MAR-TRE-9c797165-35
0.278
MAR-TRE-e82e6c98-10
0.278
MAR-TRE-be9ff7d2-41
0.278
MAR-TRE-e82e6c98-35
0.277
MAR-TRE-66ac689e-85
0.277
MAR-TRE-be9ff7d2-32
0.277
MAR-TRE-be9ff7d2-33
0.276
MAR-TRE-799db12b-95
0.276
MAR-TRE-4f781e27-57
0.276
MAR-TRE-66ac689e-38
0.275
MAR-TRE-9d18ae8c-88
0.275
MAR-TRE-c317dd82-73
0.275
MAR-TRE-7f7bb9f0-12
0.275
MAR-TRE-c317dd82-51
0.275
MAR-TRE-be9ff7d2-50
0.274
MAR-TRE-be9ff7d2-97
0.274
MAR-TRE-66ac689e-20
0.274
MAR-TRE-e82e6c98-28
0.274
MAR-TRE-a9136c7b-95
0.273
MAR-TRE-a9136c7b-63
0.272
MAR-TRE-c317dd82-55
0.272
MAR-TRE-66ac689e-15
0.272
MAR-TRE-e82e6c98-100
0.272
MAR-TRE-c317dd82-20
0.271
MAR-TRE-8190bb11-89
0.271
MAR-TRE-be9ff7d2-14
0.271
MAR-TRE-66ac689e-56
0.271
MAR-TRE-e82e6c98-31
0.271
MAR-TRE-c317dd82-41
0.271