Molecular Properties | |
SMILES: | O=C(CC1CCC2CNCCC2C1)NC(=O)c1cncnc1 |
MW: | 302.17 |
Fraction sp3: | 0.62 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 83.98 |
cLogP: | 1.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
MAR-TRE-be9ff7d2-71
0.391
MAR-TRE-be9ff7d2-44
0.361
MAR-TRE-c317dd82-9
0.357
MAR-TRE-e82e6c98-59
0.348
MAR-TRE-a9136c7b-72
0.347
MAR-TRE-4f781e27-41
0.346
MAR-TRE-4f781e27-64
0.345
MAR-TRE-e82e6c98-94
0.342
MAR-TRE-be9ff7d2-25
0.337
MAR-TRE-c317dd82-30
0.333
MAR-TRE-e82e6c98-17
0.326
MAR-TRE-e82e6c98-72
0.325
MAR-TRE-be9ff7d2-74
0.325
MAR-TRE-c317dd82-98
0.321
MAR-TRE-a9136c7b-44
0.319
MAR-TRE-c317dd82-57
0.318
MAR-TRE-92684b97-38
0.314
MAR-TRE-e82e6c98-7
0.313
MAR-TRE-c317dd82-54
0.310
MAR-TRE-be9ff7d2-19
0.310
MAR-TRE-66ac689e-28
0.310
MAR-TRE-c317dd82-15
0.308
MAR-TRE-c317dd82-99
0.307
MAR-TRE-66ac689e-60
0.305
MAR-TRE-c317dd82-72
0.304
MAR-TRE-9d18ae8c-88
0.302
MAR-TRE-e82e6c98-19
0.302
MAR-TRE-c317dd82-21
0.300
MAR-TRE-c317dd82-39
0.300
MAR-TRE-e82e6c98-73
0.300
MAR-TRE-8190bb11-79
0.297
MAR-TRE-92684b97-61
0.297
MAR-TRE-c317dd82-5
0.295
MAR-TRE-be9ff7d2-38
0.294
MAR-TRE-c317dd82-64
0.293
MAR-TRE-c317dd82-71
0.293
MAK-UNK-748f8b7a-7
0.293
MAR-TRE-4f781e27-90
0.292
MAR-TRE-c317dd82-17
0.291
MAR-TRE-c317dd82-61
0.290
MAR-TRE-a9136c7b-64
0.290
MAR-TRE-8190bb11-43
0.290
MAR-TRE-4f781e27-49
0.289
MAR-TRE-c317dd82-93
0.289
MAR-TRE-799db12b-56
0.287
MAR-TRE-8190bb11-52
0.287
MAR-TRE-be9ff7d2-94
0.286
MAR-TRE-c317dd82-6
0.286
MAR-TRE-be9ff7d2-87
0.286
MAR-TRE-9d18ae8c-76
0.286
MAR-TRE-a9136c7b-99
0.284
MAR-TRE-92684b97-33
0.284
MAR-TRE-e82e6c98-65
0.284
MAR-TRE-66ac689e-15
0.284
MAR-TRE-c317dd82-19
0.283
MAR-TRE-66ac689e-9
0.283
MAR-TRE-be9ff7d2-14
0.283
MAR-TRE-4f781e27-21
0.282
MAR-TRE-92684b97-52
0.282
MAR-TRE-92684b97-83
0.281
MAR-TRE-e82e6c98-32
0.280
MAR-TRE-8190bb11-28
0.279
MAR-TRE-c317dd82-2
0.278
MAR-TRE-e82e6c98-85
0.278
MAR-TRE-8190bb11-82
0.278
MAR-TRE-8190bb11-49
0.278
MAR-TRE-c317dd82-88
0.277
MAR-TRE-e82e6c98-10
0.277
MAR-TRE-e82e6c98-40
0.277
MAR-TRE-c317dd82-63
0.276
MAR-TRE-9d18ae8c-31
0.276
MAK-UNK-748f8b7a-15
0.275
MAR-TRE-c317dd82-36
0.275
MAR-TRE-e82e6c98-34
0.275
MAR-TRE-4f781e27-76
0.275
MAR-TRE-799db12b-95
0.274
MAR-TRE-9d18ae8c-36
0.274
MAR-TRE-4f781e27-57
0.274
MAR-TRE-66ac689e-47
0.274
MAR-TRE-9d18ae8c-44
0.274
MAR-TRE-c317dd82-73
0.273
MAR-TRE-8190bb11-50
0.273
MAR-TRE-799db12b-61
0.273
MAR-TRE-92684b97-89
0.272
MAR-TRE-be9ff7d2-67
0.272
MAR-TRE-be9ff7d2-77
0.271
MAR-TRE-92684b97-98
0.271
MAR-TRE-e82e6c98-30
0.271
MAR-TRE-c317dd82-78
0.270
MAR-TRE-c317dd82-87
0.270
MAR-TRE-be9ff7d2-69
0.270
MAR-TRE-e82e6c98-48
0.270
MAR-TRE-be9ff7d2-42
0.270
MAR-TRE-4f781e27-43
0.270
MAR-TRE-be9ff7d2-30
0.269
MAR-TRE-c317dd82-4
0.269
MAR-TRE-66ac689e-96
0.269
MAR-TRE-e82e6c98-93
0.269
MAR-TRE-e82e6c98-8
0.269
MAR-TRE-92684b97-79
0.269