Molecular Properties | |
SMILES: | O=C(NC(=O)C1CNC(=O)C2(CCNCC2)C1)c1cncnc1 |
MW: | 317.15 |
Fraction sp3: | 0.53 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 113.08 |
cLogP: | -0.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
MAR-TRE-c317dd82-93
0.514
MAR-TRE-c317dd82-99
0.480
MAR-TRE-92684b97-79
0.407
MAR-TRE-a9136c7b-44
0.398
MAR-TRE-e82e6c98-94
0.397
MAR-TRE-be9ff7d2-74
0.378
MAR-TRE-c317dd82-9
0.375
MAR-TRE-c317dd82-64
0.369
MAR-TRE-c317dd82-57
0.366
MAR-TRE-c317dd82-30
0.365
MAR-TRE-92684b97-38
0.362
MAR-TRE-c317dd82-54
0.358
MAR-TRE-66ac689e-96
0.357
MAR-TRE-e82e6c98-73
0.355
MAR-TRE-be9ff7d2-94
0.351
MAR-TRE-c317dd82-61
0.349
MAR-TRE-e82e6c98-59
0.349
MAR-TRE-c317dd82-72
0.349
MAR-TRE-92684b97-61
0.341
MAR-TRE-be9ff7d2-87
0.341
MAR-TRE-c317dd82-15
0.337
MAR-TRE-4f781e27-21
0.329
MAR-TRE-e82e6c98-17
0.326
MAR-TRE-be9ff7d2-25
0.321
MAR-TRE-c317dd82-21
0.316
MAR-TRE-be9ff7d2-71
0.315
MAR-TRE-be9ff7d2-44
0.313
MAR-TRE-92684b97-66
0.312
MAR-TRE-e82e6c98-7
0.312
MAR-TRE-4f781e27-22
0.310
MAR-TRE-c317dd82-8
0.305
MAR-TRE-9d18ae8c-31
0.305
MAR-TRE-c317dd82-98
0.304
MAR-TRE-e82e6c98-36
0.303
MAR-TRE-c317dd82-17
0.303
MAK-UNK-748f8b7a-14
0.301
MAR-TRE-66ac689e-38
0.301
MAR-TRE-e82e6c98-30
0.300
MAR-TRE-9d18ae8c-23
0.297
MAR-TRE-92684b97-52
0.296
MAR-TRE-4f781e27-41
0.296
MAR-TRE-be9ff7d2-38
0.293
MAR-TRE-be9ff7d2-54
0.292
MAR-TRE-c317dd82-71
0.292
MAR-TRE-e82e6c98-40
0.289
MAR-TRE-66ac689e-2
0.287
MAR-TRE-4f781e27-76
0.287
MAR-TRE-9d18ae8c-29
0.287
MAR-TRE-9d18ae8c-96
0.286
MAR-TRE-9d18ae8c-76
0.284
MAR-TRE-9d18ae8c-95
0.284
MAR-TRE-a9136c7b-99
0.283
MAR-TRE-4f781e27-64
0.282
MAR-TRE-c317dd82-4
0.281
MAR-TRE-9d18ae8c-70
0.281
MAR-TRE-a9136c7b-72
0.280
MAR-TRE-c317dd82-68
0.278
MAR-TRE-be9ff7d2-27
0.278
MAR-TRE-c317dd82-53
0.277
MAR-TRE-be9ff7d2-20
0.277
MAR-TRE-9d18ae8c-71
0.277
MAR-TRE-c317dd82-2
0.277
MAR-TRE-66ac689e-26
0.276
MAR-TRE-92684b97-57
0.275
MAR-TRE-be9ff7d2-46
0.275
MAR-TRE-9d18ae8c-15
0.274
MAR-TRE-8190bb11-65
0.274
MAR-TRE-c317dd82-40
0.273
MAR-TRE-8190bb11-33
0.273
MAR-TRE-e82e6c98-44
0.273
MAR-TRE-be9ff7d2-93
0.273
MAR-TRE-8190bb11-39
0.272
MAR-TRE-4f781e27-57
0.272
MAR-TRE-799db12b-95
0.272
MAR-TRE-e82e6c98-41
0.272
MAR-TRE-c317dd82-82
0.271
MAR-TRE-e82e6c98-19
0.271
MAR-TRE-e82e6c98-83
0.271
MAR-TRE-9d18ae8c-88
0.271
MAR-TRE-9d18ae8c-93
0.271
MAR-TRE-4f781e27-33
0.271
MAR-TRE-c317dd82-73
0.271
MAR-TRE-799db12b-70
0.270
MAR-TRE-66ac689e-55
0.270
MAR-TRE-be9ff7d2-50
0.270
MAR-TRE-be9ff7d2-97
0.270
MAR-TRE-be9ff7d2-69
0.267
MAR-TRE-e82e6c98-22
0.267
MAR-TRE-e82e6c98-48
0.267
MAR-TRE-e82e6c98-81
0.267
MAR-TRE-92684b97-95
0.267
MAR-TRE-be9ff7d2-72
0.267
MAR-TRE-c317dd82-19
0.267
MAR-TRE-4f781e27-7
0.267
MAR-TRE-c317dd82-60
0.266
MAR-TRE-be9ff7d2-88
0.265
MAR-TRE-c317dd82-100
0.264
MAR-TRE-8190bb11-84
0.264
MAR-TRE-92684b97-69
0.264
MAR-TRE-66ac689e-28
0.264